Structure Diversity Core Library

Name: Structure Diversity Core Library
Brand: TargetMol
SKU: DF4500

Catalog No. DF4500

Finding compounds with drug potential in the vast chemical space is a significant challenge in drug screening. Combinatorial chemistry strategies allow for the rapid construction of compound libraries containing hundreds of thousands of small molecules. These small molecules obtained in this way have similar structures and demonstrate some correlation in biological activity. Conversely, diversity-oriented synthesis (DOS) strategy involves the synthesis of small molecules with greater structural diversity. These molecules are more evenly distributed in chemical space, thus providing a better sampling of the chemical landscape. Screening these small molecules makes it possible to discover more promising drug-like structures.

The Diversity Core Library Part 1 comprises over 50,000 compounds selected from a pool of 1.6 million compounds. This collection emphasizes the diversity of compound structures obtained after filtering out PAINS, REOS and MedChem filters. Therefore, it is a superior choice when looking for diverse compound structures. TargetMol's Diversity Core Library Part 1 is available in liquid form in 96-well plate packaging, with customized options also provided to meet customer needs.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.

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Catalog No. DF4500

Structure Diversity Core Library

sizeIn stock

30 μL x 10 mM (in DMSO)
100 μL x 10 mM (in DMSO)
250 μL x 10 mM (in DMSO)

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Product Description

-Most compounds have a molecular weight less than 500, mainly from 250 to 450, facilitating modification and optimization; -Most compounds have a LogP less than 5, indicating favorable solubility. -Hydrogen Bond Acceptor (HBA) and Hydrogen Bond Donor (HBD) counts generally adhere to the Rule of Five (Ro5). -Have Topological Polar Surface Area (TPSA) ≤110, and the majority of compounds have 10 or fewer rotatable bonds, complying with the Veber’s rule. -Quantitative Estimate of Drug-likeness (QED) is predominantly between 0.5 and 0.9, indicating excellent drug-likeness. -Fsp3 is evenly distributed with good 3D structural diversity.