E141-0090 Screening compound: 1-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

E141-0090 Screening compound: 1-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
E141-0090 Screening compound: 1-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0090
1-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-5-methyl-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

E141-0090

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

1-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(3-chlorophenyl)-N-(34-dimethylphenyl)-5-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2cc(C)c(C)cc2)=O)nnn1-c1cccc(Cl)c1

InChI

InChI=1S/C18H17ClN4O/c1-11-7-8-15(9-12(11)2)20-18(24)17-13(3)23(22-21-17)16-6-4-5-14(19)10-16/h4-10H,1-3H3,(H,20,24)

InChI Key

PDNQFCDFTFBBRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.81

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

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.49

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E141-0090 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 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 E141-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0090?
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What is the minimum amount of E141-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0090
  • 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 E141-0090 available by request