J093-0093 Screening compound: N-(3-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0093 Screening compound: N-(3-fluoro-4-methylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0093 Screening compound: N-(3-fluoro-4-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 J093-0093
N-(3-fluoro-4-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

J093-0093

Molecular Formula

C20H12F5N5O (C20 H12 F5 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3F)nc2n1)=O)c1)c1F

InChI

InChI=1S/C20H12F5N5O/c1-10-2-7-13(8-14(10)22)26-18(31)17-28-19-27-15(11-3-5-12(21)6-4-11)9-16(20(23,24)25)30(19)29-17/h2-9H,1H3,(H,26,31)

InChI Key

WJTJCSDHQNDFOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.34

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

5.092

Distribution Coefficient, logD

5.091

Water Solubility, LogSw

-4.93

Polar Surface Area

52.872

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

J093-0093 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 J093-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0093?
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What is the minimum amount of J093-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0093
  • 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 J093-0093 available by request