D296-0009 Screening compound: 1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

D296-0009 Screening compound: 1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
D296-0009 Screening compound: 1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0009
1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

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

D296-0009

Molecular Formula

C17H13FN8O (C17 H13 FN8 O)

Compound Name

1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-[3-methyl-4-(1H-1234-tetrazol-1-yl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc(cc(cc1)NC(c2cn(-c(cc3)ccc3F)nn2)=O)c1-n1nnnc1

InChI

InChI=1S/C17H13FN8O/c1-11-8-13(4-7-16(11)26-10-19-22-24-26)20-17(27)15-9-25(23-21-15)14-5-2-12(18)3-6-14/h2-10H,1H3,(H,20,27)

InChI Key

KEDQRWOSOUJHNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.682

Distribution Coefficient, logD

2.682

Water Solubility, LogSw

-3.11

Polar Surface Area

89.159

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

D296-0009 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D296-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0009?
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What is the minimum amount of D296-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0009
  • 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 D296-0009 available by request