Screening compound: InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2

Screening compound: InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2
Screening compound: InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F594-0498

Molecular Formula

C21H23BrFN3O2 (C21 H23 BrFN3 O2)

Compound Name

4-bromo-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

IUPAC name

4-bromo-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide

SMILES

O=C(CCN(Cc(cc1)ccc1F)C(c(cc1)ccc1Br)=O)N1CCNCC1

InChI

InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2

InChI Key

HMEDWPARUCLCMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178084

InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of InChI=1S/C21H23BrFN3O2/c22-18-5-3-17(4-6-18)21(28)26(15-16-1-7-19(23)8-2-16)12-9-20(27)25-13-10-24-11-14-25/h1-8,24H,9-15H2 available by request