C301-3990 Screening compound: N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide

C301-3990 Screening compound: N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide
C301-3990 Screening compound: N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3990
N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-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

C301-3990

Molecular Formula

C16H13ClN4O (C16 H13 ClN4 O)

Compound Name

N-(3-chloro-4-methylphenyl)-1-phenyl-1H-1,2,4-triazole-3-carboxamide

IUPAC name

N-(3-chloro-4-methylphenyl)-1-phenyl-1H-124-triazole-3-carboxamide

SMILES

Cc(ccc(NC(c(nc1)nn1-c1ccccc1)=O)c1)c1Cl

InChI

InChI=1S/C16H13ClN4O/c1-11-7-8-12(9-14(11)17)19-16(22)15-18-10-21(20-15)13-5-3-2-4-6-13/h2-10H,1H3,(H,19,22)

InChI Key

NCFWPPDDVYEICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.087

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.37

Polar Surface Area

47.269

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C301-3990 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C301-3990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3990?
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What is the minimum amount of C301-3990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3990
  • 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 C301-3990 available by request