Screening compound: InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3

Screening compound: InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3
Screening compound: InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3

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

Y500-7731

Molecular Formula

C25H18ClN5O3S2 (C25 H18 ClN5 O3 S2)

Compound Name

2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(E)-1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one

IUPAC name

(4E)-1-(13-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-nitrophenyl)amino]ethylidene}-45-dihydro-1H-pyrazol-5-one

SMILES

C/C(/Nc1cc([N+]([O-])=O)ccc1)=C(/C(CSc(cc1)ccc1Cl)=NN1c2nc(cccc3)c3s2)\C1=O

InChI

InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3

InChI Key

WPDACGUOKNZQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

References: we are preparing a list of scientific research reports with InChI=1S/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3 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/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3
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/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3
  • 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/C25H18ClN5O3S2/c1-15(27-17-5-4-6-18(13-17)31(33)34)23-21(14-35-19-11-9-16(26)10-12-19)29-30(24(23)32)25-28-20-7-2-3-8-22(20)36-25/h2-13,27H,14H2,1H3 available by request