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Keywords:

  • 1;
  • 4-thienodiazepine-2;
  • 5-dione;
  • 2-aminothiophene;
  • Gewald reaction;
  • multicomponent reaction;
  • peptidomimetic;
  • Ugi reaction

A second scaffold of 1,4-thienodiazepine-2,5-diones was discovered and is synthetically accessible from Gewald 2-aminothiophenes via Ugi-Deprotection-Cyclization (UDC) strategy. This approach yielded hybrid peptidomimetic diazepine structures with six points of diversity introduced from readily available starting materials. A virtual compound library (N = 50 000) was generated and evaluated for chemical space distribution and drug-like properties.