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Pre-plated Fragment Screening Sets

Download SD Files (.sdf):

Life Chemicals offers several Fragment Screening Sets as convenient and efficient starting point for fragment-based approach to drug discovery (FBDD) projects.

Please, contact us at orders@lifechemicals.com for any additional information and price quotations.

Key features

  • Novel fragment-like screening compounds synthesized in-house
  • Ideal for fragment-based lead generation
  • Several formatting options available in 384- or 96-well microplates
  • Competitive pricing and convenient terms
  • Application of rigorous drug-likeness filters
  • Assured ≥ 90 % purity confirmed by LCMS and/or NMR data
  • Guaranteed hit re-supply, product scale-up
  • Compound library design and combinatorial synthesis based on found hits

Formatting

  • 384-well PP-masterblocks, Greiner bio-one ref: 781280 or 784201, V-bottom microtiter plate
  • 96-well PP-masterblocks, Greiner bio-one ref: 780215, U-bottom 1.0 ml microplate capped with capmats, Greiner bio-one ref.# 381070
  • 96-well plates, Matrix cat.# 4247, racked round-bottom tubes, 1.4 ml capped tubes with cap-strips cat.#4413 or cap-mats cat.# 4430

Pre-plated 3D-shaped Fragment Set

4,724 non-flat structurally-diverse fragments, representing a variety of 3D-like sp3-rich molecules: rod-like, disk-like, and spherical.

 Download the full list of compounds (SD File) here.

Catalog ID

Compounds

Concentration

Volume

Plates

Format

3D-Fragment-1

4724

100 mM DMSO solution

10/20/25/50 uL

15

384-well microplate, 320 compounds per plate; 1, 2, 23, 24 columns empty

3D-Fragment-2

4724

100 mM DMSO solution

50/100 uL

60

96-well microplate, 80 compounds per plate; 1, 12 columns empty

For a detailed description and other formatting options, please, refer to the full 3D-shaped Fragment Library.

Pre-plated Covalent Fragment Screening Set

5,704 covalent inhibitor fragments containing covalent warheads for efficient covalent fragment screening. Purchasable as one big screening set or, alternatively, as four smaller complementary and non-overlapping subsets, selected to provide optimal structural diversity: 2,824, 1,600, 960 and 320 fragment-like covalent inhibitors.

These Covalent Fragment Screening Sets are fully customizable and can be delivered in several concentrations and volumes (for example, concentration 100/50 mM and solution volume 100/50/20/10 uL) in either 96- or 384-well plates.

High quality of the screening pulls: all non-selective covalent binders containing highly reactive electrophilic and nucleophilic groups, as well as compounds with non drug-like cores, were excluded from this screening library.

Each compound within the SD files contains information about the covalent warhead type present in its structure. Additionally, the file named "Covalent Warhead Distribution" contains details regarding the number of compounds belonging to specific functional groups or their combinations.

 Download the full list of compounds (SD File) here.

For a detailed description and other formatting options, please, refer to the full Covalent Fragment Library. You can also be interested in the related Covalent Inhibitor Screening Libraries.

Pre-plated Fsp³-enriched Fragment Set

1,600 sp3-rich non-flat fragments with Fsp³ cut-off ≥ 0.45. All the compounds show a wide range of chemical structure dissimilarity and are compliant with in-house MedChem and PAINS structural filters.

 Download the full list of compounds (SD File) here.

Catalog ID

Compounds

Concentration

Volume

Plates

Format

Fsp3-Fragment-1

1600

100 mM DMSO solution

10/20/25/50 uL

5

384-well microplate, 320 compounds per plate; 1, 2, 23, 24 columns empty

Fsp3-Fragment-2

1600

100 mM DMSO solution

50/100 uL

20

96-well microplate, 80 compounds per plate; 1, 12 columns empty

For a detailed description and other formatting options, please, refer to the full Fsp³-enriched Fragment Library

Pre-plated High-solubility Fragment Diversity Sets

Novel Fragment Diversity Subsets of 1,280, 960 and 320 drug-like fragments with experimentally assured solubility at 200 mM in the DMSO solution. The sets are efficient starting kits for FBDD research projects.

These Diversity Screening Sets are fully customizable and can be delivered in several concentration and volume (for example, concentration 200/150/100/50 mM and solution volume 100/50/20/10 uL).

 Download the full list of compounds (SD File) here.

For a detailed description and other formatting options, please, refer to the full Fragment Diversity Subsets with Experimental Solubility

Pre-plated High-solubility Fragment Set

6,542 drug-like fragments soluble in DSMO and phosphate-buffered saline at high concentrations. All the compounds in this Screening Set possess minimum experimentally confirmed solubility in PBS at 1 mM and in DMSO at 200mM, measured by the thermodynamic method using HPLC.

 Download the full list of compounds (SD File) here.

Catalog ID

Compounds

Concentration

Volume

Plates

Format

Solub-Fragment-1

6542

200 mM DMSO solution

10/20/25/50 uL

21

384-well microplate, 320 compounds per plate; 1, 2, 23, 24 columns empty

Solub-Fragment-2

6542

200 mM DMSO solution

50/100 uL

82

96-well microplate, 80 compounds per plate; 1, 12 columns empty

Solub-Fragment-3

6542

100 mM DMSO solution

10/20/25/50 uL

21

384-well microplate, 320 compounds per plate; 1, 2, 23, 24 columns empty

Solub-Fragment-4

6542

100 mM DMSO solution

50/100 uL

82

96-well microplate, 80 compounds per plate; 1, 12 columns empty

For a detailed description and other formatting options, please, refer to the full Fragment Library with Experimental Solubility and its High Solubility Fragment Subset.

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