J093-0401 Screening compound: N-(4-acetylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0401 Screening compound: N-(4-acetylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0401 Screening compound: N-(4-acetylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0401
N-(4-acetylphenyl)-5-(4-methylphenyl)-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

J093-0401

Molecular Formula

C22H16F3N5O2 (C22 H16 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2n1)=O)=O

InChI

InChI=1S/C22H16F3N5O2/c1-12-3-5-15(6-4-12)17-11-18(22(23,24)25)30-21(27-17)28-19(29-30)20(32)26-16-9-7-14(8-10-16)13(2)31/h3-11H,1-2H3,(H,26,32)

InChI Key

FSVWRGXGGISCFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.33

Polar Surface Area

66.699

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J093-0401 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J093-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0401?
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What is the minimum amount of J093-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0401
  • 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 J093-0401 available by request