50K Diversity Library

• Compounds in this library were selected by dissimilarity search (Tanimoto coefficient of 0.52) to provide a higher variety and broader chemical space coverage.

• 36,857 unique scaffolds (Bemis-Murcko) and each scaffold 1 to 7 compounds.

• Compatible with “Lipinski’s Rule of Five”, with multiple characteristics such as calculated good solubility (-3.2<logP<5), oral bioavailability (RotB<=10), drug transportability (PSA < 120), MW between 300 to 500, number of Hydrogen Bond Donor (HBD)≤5, number of Hydrogen Bond Acceptor (HBA)≤10.

• Passed all associated MedChem filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.

• Compounds with the same scaffold have as many functional groups as possible to ensure the diverse chemical spaces.

• All 50,000 compounds are available off the shelf. Pre-plates of 10 mM DMSO solutions, convenient to use.

• NMR and HPLC validated to ensure high purity and quality.

Formulation: A collection of 50,000 lead-like compounds supplied as pre-dissolved solutions.

Solution: 50,000 compounds supplied in 10 mM solution.

Container: 96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube with Screw Cap and Optional 2D Barcode.

Storage: -80°C

Shipping: Blue ice