ci8b00615_si_001.pdf (468.8 kB)
ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles
journal contribution
posted on 2018-11-12, 00:00 authored by Doriana Levré, Chiara Arcisto, Valentina Mercalli, Alberto MassarottiIn
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.