E141-0112 Screening compound: 1-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

E141-0112 Screening compound: 1-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
E141-0112 Screening compound: 1-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0112
1-(4-chlorophenyl)-N-(2,4-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

E141-0112

Molecular Formula

C18H17ClN4O (C18 H17 ClN4 O)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-N-(24-dimethylphenyl)-5-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2c(C)cc(C)cc2)=O)nnn1-c(cc1)ccc1Cl

InChI

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

InChI Key

FBESLPGINDQHOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06404197

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

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.39

Polar Surface Area

49.475

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E141-0112 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E141-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0112?
Check Price and Availability of E141-0112, 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 E141-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0112
  • 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 E141-0112 available by request