Screening compound: InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3

Screening compound: InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3
Screening compound: InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3

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

V004-8583

Molecular Formula

C30H32FN5O2S (C30 H32 FN5 O2 S)

Compound Name

1-(2-fluorophenyl)-4-[4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

IUPAC name

1-(2-fluorophenyl)-4-[4-({[4-(2-methoxyphenyl)-5-(propan-2-yl)-4H-124-triazol-3-yl]sulfanyl}methyl)benzoyl]piperazine

SMILES

CC(C)c(n1-c(cccc2)c2OC)nnc1SCc(cc1)ccc1C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3

InChI Key

BMPYUYOXEYHEDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27499012

InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with InChI=1S/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3 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/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3
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/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3
  • 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/C30H32FN5O2S/c1-21(2)28-32-33-30(36(28)26-10-6-7-11-27(26)38-3)39-20-22-12-14-23(15-13-22)29(37)35-18-16-34(17-19-35)25-9-5-4-8-24(25)31/h4-15,21H,16-20H2,1-3H3 available by request