Pre-plated Diversity Sets

Life Chemicals presents its exclusive Pre-plated Diversity Sets (PS6) composed of a total of 50,000 novel screening compounds with optimal physicochemical properties selected by dissimilarity search from the Life Chemicals HTS Compound Collection of newly synthesized molecules. It has been designed to facilitate phenotypic (cell-based) and target-based high throughput screening (HTS) efforts by providing access to a collection of structurally-diverse small molecules in a convenient manner.

For your convenience, there are Diversity Subsets of 5,000, 10,000, 15,000, and 20,000 compounds with no structure overlap. They are complementary and can be combined to create more extensive diverse screening libraries (e.g., 30,000, 40,000, and up to 50,000 compounds in total).

The Pre-plated Diversity Sets and its Subsets are ideal tools for drug discovery projects that require a wide range of chemical structure dissimilarity and quality drug-like and lead-like compounds to screen against new or validated biological targets from different classes, or where little information is available on a targeted protein structure.

Key features:

  • Mean Tanimoto value of the Diversity Set is 0.409 with even lover values in the subsets (calculated with ECFP fingerprints)
  • No overlap with our previous Diversity Set (PS5) of 50,000 compounds (PS5)
  • Lipinski Rule of Five and Veber criteria compliant compounds
  • No reagents. No reactive and unstable molecules
  • PAINS filters families A, B, C applied
  • Lilly MedChem Rules compliant

Formatting:

  • 50uL of 10mM solutions in DMSO
  • 384-well microplates (Greiner bio-one ref: 781280 or 784201)
  • 320 compounds per plate; 1-2, 23-24 columns empty

Please contact us at orders@lifechemicals.com for details and quotations.

More parameters of the Diversity Subsets are listed in the tables below. The compound distribution for each parameter is illustrated in Figure 1.

Diversity Set Average values
MW HBD HBA ClogP RotB Fsp3 TPSA
50K 356.64 3.85 1.49 2.61 4.87 0.35 74.99
20K 363.19 3.87 1.50 2.77 5.03 0.34 74.60
15K 355.25 3.84 1.51 2.55 4.84 0.36 74.76
10K 351.00 1.48 3.84 2.45 4.72 0.36 75.62
5K 345.83 1.44 3.83 2.48 4.62 0.36 76.00

Figure 1. Compound distribution by the key parameters in the Pre-plated Diversity Set.

Screening compounds from the Pre-plated Diversity Set also belong to one or more of the proprietary Targeted and Focused Screening Libraries designed by Life Chemicals. The compound distribution between the main types of screening compound libraries is shown in Fig. 2.

Fig. 3 illustrates a few representative examples of final compounds in the Pre-plated Diversity Set and how they relate to the in-house premium scaffolds through different intermediate Building Blocks.

Figure 2. Distribution of compounds from the Pre-plated Diversity Set between different types of screening compound libraries offered by Life Chemicals

 

Examples of final compounds in the Pre-plated Diversity Sets

Figure 3. Examples of final compounds in the Pre-plated Diversity Set and their relation to the corresponding initial scaffolds and building blocks

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