8011-6592 Screening compound: 5-amino-1-benzyl-N-(3,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide

8011-6592 Screening compound: 5-amino-1-benzyl-N-(3,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
8011-6592 Screening compound: 5-amino-1-benzyl-N-(3,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6592
5-amino-1-benzyl-N-(3,4-dimethylphenyl)-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

8011-6592

Molecular Formula

C18H19N5O (C18 H19 N5 O)

Compound Name

5-amino-1-benzyl-N-(3,4-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-benzyl-N-(34-dimethylphenyl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(c1c(N)n(Cc2ccccc2)nn1)=O

InChI

InChI=1S/C18H19N5O/c1-12-8-9-15(10-13(12)2)20-18(24)16-17(19)23(22-21-16)11-14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,24)

InChI Key

GBKCHUMPQMYDMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.26

Polar Surface Area

69.288

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8011-6592 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8011-6592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6592?
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What is the minimum amount of 8011-6592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6592
  • 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 8011-6592 available by request