J093-0124 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0124 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0124 Screening compound: N-(3-chloro-4-fluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0124
N-(3-chloro-4-fluorophenyl)-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

J093-0124

Molecular Formula

C19H9ClF5N5O (C19 H9 ClF5 N5 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3F)nc2n1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C19H9ClF5N5O/c20-12-7-11(5-6-13(12)22)26-17(31)16-28-18-27-14(9-1-3-10(21)4-2-9)8-15(19(23,24)25)30(18)29-16/h1-8H,(H,26,31)

InChI Key

FKJZWDPRLNMRSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.87

Polar Surface Area

52.872

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

J093-0124 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J093-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0124?
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What is the minimum amount of J093-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0124
  • 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 J093-0124 available by request