5,5- and 5,6-Membered Spirocyclic Indolinone Hit-Finding Libraries

ACS Comb Sci. 2019 Jul 8;21(7):528-536. doi: 10.1021/acscombsci.9b00057. Epub 2019 Jun 17.

Abstract

The production of two libraries based on spirocyclic indolinones is described. These libraries were selected from numerous spirocyclic indolinone scaffolds with a library evaluation procedure used routinely at Novartis, based on computed physicochemical properties and measured properties of prototype compounds. The library production yielded 176 and 428 compounds that could be isolated in sufficient amounts and purities based on two closely related scaffolds. The novelty and diversity analysis of these libraries shows their complementarity to the chemical space covered by the structures of the PubChem database.

Keywords: combinatorial chemistry; hit finding libraries; spirocyclic compounds.

MeSH terms

  • Combinatorial Chemistry Techniques*
  • Molecular Conformation
  • Oxindoles / chemical synthesis
  • Oxindoles / chemistry*
  • Small Molecule Libraries / chemical synthesis
  • Small Molecule Libraries / chemistry*
  • Spiro Compounds / chemical synthesis
  • Spiro Compounds / chemistry*

Substances

  • Oxindoles
  • Small Molecule Libraries
  • Spiro Compounds