E141-0139 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

E141-0139 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
E141-0139 Screening compound: 1-(3-chloro-4-fluorophenyl)-N-(2,5-dimethylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-0139
1-(3-chloro-4-fluorophenyl)-N-(2,5-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

E141-0139

Molecular Formula

C18H16ClFN4O (C18 H16 ClFN4 O)

Compound Name

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

IUPAC name

1-(3-chloro-4-fluorophenyl)-N-(25-dimethylphenyl)-5-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2c(C)ccc(C)c2)=O)nnn1-c(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H16ClFN4O/c1-10-4-5-11(2)16(8-10)21-18(25)17-12(3)24(23-22-17)13-6-7-15(20)14(19)9-13/h4-9H,1-3H3,(H,21,25)

InChI Key

IHPAUPJNRFJNJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.8

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

3.700

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-4.01

Polar Surface Area

49.475

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E141-0139 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 E141-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-0139?
Check Price and Availability of E141-0139, 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 E141-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-0139
  • 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 E141-0139 available by request