In April 2020, a group of researchers published an article 'Design and Synthesis of 56 Shape‐Diverse 3D Fragments'.
The paper describes a workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments which occupy under-represented areas of fragment space. These 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Comparing these 3D fragments with six commercial libraries, the authors showed that the new collection has high three‐dimensionality and shape diversity.
We at Chemspace offer 3D-Shaped Fragments ("In-Stock" and "Make-On-Demand"), which can be used for the design and synthesis of "non-flat" screening compounds. To browse the sets please use this link!
In case of any questions just drop us a line: firstname.lastname@example.org.