Screening compound: InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3

Screening compound: InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3
Screening compound: InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3

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

2339-2231

Molecular Formula

C18H13ClFN3O4 (C18 H13 ClFN3 O4)

Compound Name

4-[(Z)-1-(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-1H-pyrazol-5-one

IUPAC name

(4Z)-4-[(2-chloro-6-fluorophenyl)methylidene]-3-ethoxy-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CCOC(/C(/C1=O)=C/c(c(F)ccc2)c2Cl)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3

InChI Key

QLMVAGHENYXVQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838056

InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with InChI=1S/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3 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/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3
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/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3
  • 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/C18H13ClFN3O4/c1-2-27-17-14(10-13-15(19)4-3-5-16(13)20)18(24)22(21-17)11-6-8-12(9-7-11)23(25)26/h3-10H,2H2,1H3 available by request