D296-0053 Screening compound: 1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide

D296-0053 Screening compound: 1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
D296-0053 Screening compound: 1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D296-0053
1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-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

D296-0053

Molecular Formula

C12H9FN6OS (C12 H9 FN6 OS)

Compound Name

1-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(4-fluorophenyl)-N-(5-methyl-134-thiadiazol-2-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1nnc(NC(c2cn(-c(cc3)ccc3F)nn2)=O)s1

InChI

InChI=1S/C12H9FN6OS/c1-7-15-17-12(21-7)14-11(20)10-6-19(18-16-10)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17,20)

InChI Key

OKBJDSLTYHPJRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.827

Distribution Coefficient, logD

1.452

Water Solubility, LogSw

-2.44

Polar Surface Area

73.046

Acid Dissociation Constant (pKa)

7.26

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D296-0053 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D296-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D296-0053?
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What is the minimum amount of D296-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D296-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D296-0053
  • 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 D296-0053 available by request