8288-0961 Screening compound: 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide

8288-0961 Screening compound: 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide
8288-0961 Screening compound: 1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8288-0961
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-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

8288-0961

Molecular Formula

C17H16ClN5O3S (C17 H16 ClN5 O3 S)

Compound Name

1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-sulfamoylphenyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2S(N)(=O)=O)=O)nnn1-c1cc(Cl)c(C)cc1

InChI

InChI=1S/C17H16ClN5O3S/c1-10-3-6-13(9-15(10)18)23-11(2)16(21-22-23)17(24)20-12-4-7-14(8-5-12)27(19,25)26/h3-9H,1-2H3,(H,20,24)(H2,19,25,26)

InChI Key

XEFGEYAOLBZRGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.481

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-3.50

Polar Surface Area

100.776

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8288-0961 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8288-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8288-0961?
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What is the minimum amount of 8288-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8288-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8288-0961
  • 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 8288-0961 available by request