ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles

Published on 2018-12-05T21:45:22Z (GMT) by
In the last years, we have investigated the click-chemical space covered by molecules containing the triazole ring and generated a database of 1,2,3-triazoles called ZINClick, starting from literature-reported alkynes and azides synthesizable in no more than three synthetic steps from commercially available products. This combinatorial database contains millions of 1,4-disubstituted 1,2,3-triazoles that are easily synthesizable. The library is regularly updated and can be freely downloaded from http://www.ZINClick.org. In this communication, the new implementation of ZINClick will be discussed as well as our new strategy for clustering the chemical space covered by 1,4-disubstituted 1,2,3-triazoles around their availability: from direct purchase to different degrees of synthetic feasibility of the compounds.

Cite this collection

Levré, Doriana; Arcisto, Chiara; Mercalli, Valentina; Massarotti, Alberto (2018): ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles. ACS Publications. Collection.