Leadlike Rule of 3 (RubyRO3)
These Rare and Unique Substructures adhere to the Rule of Three (FW<300, <3 rotatable bonds, ClogP<3). The functional groups that do not react with protein. These are ideal for Fragment-Based Lead Discovery and subsequent optimization.
*Note concerning Special Order chemicals: these are made to order
with a typical lead time of 6 weeks. |
Minimum order sizes apply
(usually 1 gram).
Prices are listed in the catalog for available
Recently, a set of rules has been developed to help identify small molecules suited for the fragment-based lead discovery. This novel approach to drug discovery involves screening libraries of low-molecular weight fragments for their ability to interact with a macromolecular target through protein x-ray crystallography or NMR. Congreve, Carr, Murray and Jhoti determined that small molecules that obey the "Rule of Three" are most suited to this approach: FW < 300, hydrogen bond donors <=3, hydrogen bond acceptors <=3, ClogP <=3. Focus Synthesis offers RubyRO3 building blocks, a set of over 150 building synthons and precursors that meet the basic Rule of Three criteria. More than 80% of these are predicted to be stable in physiological buffers, and could be used directly as screening compounds particularly suited for fragment-based lead discovery. 100% of the "Rule of Three" products are ideal lead candidates, particularly well suited as precursors for lead-like and drug-like molecules to keep drug discovery pipelines full of high quality drug candidates. Purchase RubyRO3 chemicals to accelerate your fragment-based screening progam.