J093-0463 Screening compound: 5-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0463 Screening compound: 5-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0463 Screening compound: 5-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0463
5-(4-methylphenyl)-N-[(oxolan-2-yl)methyl]-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

J093-0463

Molecular Formula

C19H18F3N5O2 (C19 H18 F3 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc2nc(C(NCC3OCCC3)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C19H18F3N5O2/c1-11-4-6-12(7-5-11)14-9-15(19(20,21)22)27-18(24-14)25-16(26-27)17(28)23-10-13-3-2-8-29-13/h4-7,9,13H,2-3,8,10H2,1H3,(H,23,28)/t13-/m1/s1

InChI Key

NJJZKGIRIUVZEA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27224676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.24

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

J093-0463 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J093-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0463?
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What is the minimum amount of J093-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0463
  • 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 J093-0463 available by request