J093-0868 Screening compound: N-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0868 Screening compound: N-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0868 Screening compound: N-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0868
N-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-5-(furan-2-yl)-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

J093-0868

Molecular Formula

C20H10ClF3N6O3 (C20 H10 ClF3 N6 O3)

Compound Name

N-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-[3-(2-chlorophenyl)-12-oxazol-5-yl]-5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)Nc1cc(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C20H10ClF3N6O3/c21-11-5-2-1-4-10(11)12-9-16(33-29-12)26-18(31)17-27-19-25-13(14-6-3-7-32-14)8-15(20(22,23)24)30(19)28-17/h1-9H,(H,26,31)

InChI Key

QDCIMWKWFOVOEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.284

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.57

Polar Surface Area

83.731

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

J093-0868 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J093-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0868?
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What is the minimum amount of J093-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0868
  • 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 J093-0868 available by request