E141-1204 Screening compound: N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

E141-1204 Screening compound: N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
E141-1204 Screening compound: N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E141-1204
N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-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

E141-1204

Molecular Formula

C17H13F3N4O (C17 H13 F3 N4 O)

Compound Name

N-(2,5-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(25-difluorophenyl)-1-(3-fluoro-4-methylphenyl)-5-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc(cc2)F)c2F)=O)nnn1-c1cc(F)c(C)cc1

InChI

InChI=1S/C17H13F3N4O/c1-9-3-5-12(8-14(9)20)24-10(2)16(22-23-24)17(25)21-15-7-11(18)4-6-13(15)19/h3-8H,1-2H3,(H,21,25)

InChI Key

VYJGHRUNJVKMLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.31

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

3.892

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-3.97

Polar Surface Area

49.475

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E141-1204 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 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
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 E141-1204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E141-1204?
Check Price and Availability of E141-1204, 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 E141-1204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E141-1204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E141-1204
  • 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 E141-1204 available by request