J093-0074 Screening compound: N-(3-acetylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0074 Screening compound: N-(3-acetylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0074 Screening compound: N-(3-acetylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0074
N-(3-acetylphenyl)-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

J093-0074

Molecular Formula

C21H13F4N5O2 (C21 H13 F4 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c1cccc(NC(c2nn3c(C(F)(F)F)cc(-c(cc4)ccc4F)nc3n2)=O)c1)=O

InChI

InChI=1S/C21H13F4N5O2/c1-11(31)13-3-2-4-15(9-13)26-19(32)18-28-20-27-16(12-5-7-14(22)8-6-12)10-17(21(23,24)25)30(20)29-18/h2-10H,1H3,(H,26,32)

InChI Key

ZJJGYEIKHHRIJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.182

Water Solubility, LogSw

-4.37

Polar Surface Area

66.699

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

J093-0074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0074?
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What is the minimum amount of J093-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0074
  • 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 J093-0074 available by request