E141-0245 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

E141-0245 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
E141-0245 Screening compound: N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0245
N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-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

E141-0245

Molecular Formula

C18H14ClF3N4O (C18 H14 ClF3 N4 O)

Compound Name

N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(5-chloro-2-methylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2c(C)ccc(Cl)c2)=O)nnn1-c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H14ClF3N4O/c1-10-6-7-13(19)9-15(10)23-17(27)16-11(2)26(25-24-16)14-5-3-4-12(8-14)18(20,21)22/h3-9H,1-2H3,(H,23,27)

InChI Key

YXCOUXHDFJDDOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.60

Polar Surface Area

49.475

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E141-0245 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E141-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0245?
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What is the minimum amount of E141-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0245
  • 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 E141-0245 available by request