J093-0053 Screening compound: N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0053 Screening compound: N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0053 Screening compound: N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0053
N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-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

J093-0053

Molecular Formula

C20H12ClF4N5O (C20 H12 ClF4 N5 O)

Compound Name

N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(c(NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3F)nc2n1)=O)ccc1)c1Cl

InChI

InChI=1S/C20H12ClF4N5O/c1-10-13(21)3-2-4-14(10)26-18(31)17-28-19-27-15(11-5-7-12(22)8-6-11)9-16(20(23,24)25)30(19)29-17/h2-9H,1H3,(H,26,31)

InChI Key

HTZHYNRPDUPUFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.446

Water Solubility, LogSw

-6.04

Polar Surface Area

52.174

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with J093-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0053?
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What is the minimum amount of J093-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0053
  • 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 J093-0053 available by request