Pre-plated Diversity Sets

Life Chemicals presents its exclusive Pre-plated Diversity Sets PS7 and PS8 of over 100,000 novel screening compounds with optimal physicochemical properties for phenotypic (cell-based) and target-based high-throughput screening (HTS) and hit findings in various drug discovery projects.

For your convenience, these Pre-plated Diversity Sets PS7 and PS8, each containing 50k compounds, are arranged as four smaller Subsets consisting of 5k, 10k, 15k, and 20k drug-like compounds with no structure overlap to provide easy access to a broader array of structurally diverse and novel small molecules.

In addition, also available for purchase are our previous editions of diversity-based screening subsets to expand the compound selection resources:

• PS6(10,000 and 15,000 compounds)
• PS5 & PS4 (15,000 compounds, each)

All the compounds were carefully chosen through a dissimilarity search from the newly synthesized molecules belonging to the Life Chemicals proprietary HTS Compound Collection.

Key features:

• The mean Tanimoto value of the 50k Diversity Set PS8 is 0.898, with even lower values in the subsets (calculated with ECFP fingerprints)
• No compound overlap with the previous edition (PS8 does not overlap with P7)
• Lipinski Rule of Five and Veber criteria-compliant compounds were selected
• Reagents, reactive or unstable molecules were excluded
• PAINS filter families A, B, and C were applied
• Lilly MedChem Rules compliance is guaranteed

Formatting Options:

• 10 mM solutions in DMSO
• Volumes available: 10 µL, 25 µL, 50 µL
• Plate specifications:
• 384-well microplates (Greiner bio-one ref: 781280 or 784201)
• 320 compounds per plate; columns 1-2 and 23-24 are empty
• Additional option for PS7 only: reformatting in specified µL quantities using Echo® Qualified 384-Well Polypropylene Microplates (PP-0200)

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

The Pre-plated Diversity Sets, together with their corresponding Screening Subsets, provide an invaluable asset for drug discovery projects that require significantly high chemical structure dissimilarity. They contain a remarkable selection of quality drug-like and lead-like compounds to meet screening requirements against novel or validated biological targets spanning a variety of classes. The Set has proven exceptionally beneficial, especially when information regarding a targeted protein structure is limited.

Tables 1 and 2 outline various physicochemical parameters of the Diversity Subsets within PS7 and PS8. Meanwhile, Figures 1 and 2 graphically depict the compound distribution across each parameter.

Furthermore, screening compounds included in the Pre-plated Diversity Sets PS7 and PS8 belong to one or more proprietary Targeted and Focused Screening Libraries meticulously designed by the Life Chemicals cheminformatics team. Figures 3 and 4 visualize the distribution of compounds among these distinct screening compound libraries.

Figures 5 and 6 illustrate several representative examples of final compounds in the Pre-plated Diversity Sets and their relation to the in-house premium scaffolds through different intermediate Building Blocks.

Table 1. Mean values of the physicochemical parameters of the Pre-plated Diversity Screening Set (PS7) and its Subsets.

Table 2. Mean values of the physicochemical parameters of the Pre-plated Diversity Screening Set (PS8) and its Subsets.

Figure 1. Compound distribution by the key parameters in the Pre-plated Diversity Set (PS7).

Figure 2. Compound distribution by the critical parameters in the Pre-plated Diversity Set (PS8).  

Figure 3. Distribution of compounds from the Pre-plated Diversity Set (PS7) among different types of screening compound libraries offered by Life Chemicals.

Figure 4. Distribution of compounds from the Pre-plated Diversity Set (PS8) among different types of screening compound libraries offered by Life Chemicals.

Figure 5. Examples of final compounds in the Pre-plated Diversity Set (PS7) and their relation to the corresponding initial scaffolds and building blocks.

Figure 6. Examples of final compounds in the Pre-plated Diversity Set (PS8) and their relation to the corresponding initial scaffolds and building blocks.