8288-0948 Screening compound: 5-methyl-1-(3-methylphenyl)-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide

8288-0948 Screening compound: 5-methyl-1-(3-methylphenyl)-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide
8288-0948 Screening compound: 5-methyl-1-(3-methylphenyl)-N-(4-sulfamoylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8288-0948
5-methyl-1-(3-methylphenyl)-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

8288-0948

Molecular Formula

C17H17N5O3S (C17 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)ccc2S(N)(=O)=O)=O)nnn1-c1cc(C)ccc1

InChI

InChI=1S/C17H17N5O3S/c1-11-4-3-5-14(10-11)22-12(2)16(20-21-22)17(23)19-13-6-8-15(9-7-13)26(18,24)25/h3-10H,1-2H3,(H,19,23)(H2,18,24,25)

InChI Key

GPVRYYKYJDIEDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07396699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

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

1.725

Distribution Coefficient, logD

1.706

Water Solubility, LogSw

-2.53

Polar Surface Area

100.776

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8288-0948 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 8288-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8288-0948?
Check Price and Availability of 8288-0948, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8288-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8288-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8288-0948
  • 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 8288-0948 available by request