D296-0030 Screening compound: 1-(4-fluorophenyl)-N-(5-quinolyl)-1H-1,2,3-triazole-4-carboxamide

D296-0030 Screening compound: 1-(4-fluorophenyl)-N-(5-quinolyl)-1H-1,2,3-triazole-4-carboxamide
D296-0030 Screening compound: 1-(4-fluorophenyl)-N-(5-quinolyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0030
1-(4-fluorophenyl)-N-(5-quinolyl)-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

D296-0030

Molecular Formula

C18H12FN5O (C18 H12 FN5 O)

Compound Name

1-(4-fluorophenyl)-N-(5-quinolyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-(quinolin-5-yl)-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(-c(cc2)ccc2F)nn1)Nc1cccc2ncccc12

InChI

InChI=1S/C18H12FN5O/c19-12-6-8-13(9-7-12)24-11-17(22-23-24)18(25)21-16-5-1-4-15-14(16)3-2-10-20-15/h1-11H,(H,21,25)

InChI Key

GIOOUKXQVCETKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.22

Polar Surface Area

57.760

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D296-0030 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • 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 D296-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0030?
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What is the minimum amount of D296-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0030
  • 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 D296-0030 available by request