Table of Contents

HMS-I2 1μM R06 exp286

Mechanism of Action

putative HDAC inhibitor from cell-based screen

Technical Notes

Protein References

  • PubChem Name: N-(1-Benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxamide
  • Synonyms: N/A
  • CAS #: 690626-60-9
  • PubChem CID: 2811440
  • IUPAC: N-(1-benzothiophen-2-yl)-4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carboxamide
  • INCHI Name: InChI=1S/C20H19ClFN3OS/c21-16-5-3-6-17(22)15(16)13-24-8-10-25(11-9-24)20(26)23-19-12-14-4-1-2-7-18(14)27-19/h1-7,12H,8-11,13H2,(H,23,26)
  • INCHI Key: BPEPKMJSLJPOFO-UHFFFAOYSA-N
  • Molecular Weight: 403.9
  • Canonical SMILES: C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)NC3=CC4=CC=CC=C4S3
  • Isomeric SMILES: N/A
  • Molecular Formula: C20H19ClFN3OS

Protein Supplier

  • Supplier Name: MayBridge
  • Catalog #: HTS 03843
  • Lot #: N/A

Protein Characterization

  • HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C20H19ClFN3OS 404.09942; found 404.10247

Dose Response Curve

Dose response curve not available.

Screen Summary

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
2/0ScoresViewViewViewViewView