J093-0314 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0314 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0314 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0314
N-(3-chloro-4-methoxyphenyl)-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

J093-0314

Molecular Formula

C21H15ClF3N5O3 (C21 H15 ClF3 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc2nc(C(Nc(cc3)cc(Cl)c3OC)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C21H15ClF3N5O3/c1-32-13-6-3-11(4-7-13)15-10-17(21(23,24)25)30-20(27-15)28-18(29-30)19(31)26-12-5-8-16(33-2)14(22)9-12/h3-10H,1-2H3,(H,26,31)

InChI Key

HQADJXTYDVSNDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27644454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.904

Water Solubility, LogSw

-5.16

Polar Surface Area

68.046

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J093-0314 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with J093-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0314?
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What is the minimum amount of J093-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0314
  • 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 J093-0314 available by request