Screening compound: InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3

Screening compound: InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3
Screening compound: InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3

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

C915-0226

Molecular Formula

C21H19ClFN3OS (C21 H19 ClFN3 OS)

Compound Name

1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione

IUPAC name

1-(3-chlorobenzoyl)-3-(4-fluorophenyl)-8-methyl-148-triazaspiro[4.5]dec-3-ene-2-thione

SMILES

CN(CC1)CCC1(N(C(c1cccc(Cl)c1)=O)C1=S)N=C1c(cc1)ccc1F

InChI

InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3

InChI Key

ZRBJHDVIVZNMQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14808245

InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with InChI=1S/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3 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/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3
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/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3
  • 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/C21H19ClFN3OS/c1-25-11-9-21(10-12-25)24-18(14-5-7-17(23)8-6-14)20(28)26(21)19(27)15-3-2-4-16(22)13-15/h2-8,13H,9-12H2,1H3 available by request