J093-0215 Screening compound: N-(4-acetylphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0215 Screening compound: N-(4-acetylphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0215 Screening compound: N-(4-acetylphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0215
N-(4-acetylphenyl)-5-(4-methoxyphenyl)-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

J093-0215

Molecular Formula

C22H16F3N5O3 (C22 H16 F3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3OC)nc2n1)=O)=O

InChI

InChI=1S/C22H16F3N5O3/c1-12(31)13-3-7-15(8-4-13)26-20(32)19-28-21-27-17(14-5-9-16(33-2)10-6-14)11-18(22(23,24)25)30(21)29-19/h3-11H,1-2H3,(H,26,32)

InChI Key

SZKTYLIOUUBGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-4.21

Polar Surface Area

74.243

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

J093-0215 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0215 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0215?
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What is the minimum amount of J093-0215 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0215
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0215
  • 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 J093-0215 available by request