J093-0514 Screening compound: N-tert-butyl-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0514 Screening compound: N-tert-butyl-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0514 Screening compound: N-tert-butyl-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0514
N-tert-butyl-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

J093-0514

Molecular Formula

C18H18F3N5O (C18 H18 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2n1)=O

InChI

InChI=1S/C18H18F3N5O/c1-10-5-7-11(8-6-10)12-9-13(18(19,20)21)26-16(22-12)23-14(25-26)15(27)24-17(2,3)4/h5-9H,1-4H3,(H,24,27)

InChI Key

QWFZENYSZJNWRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.31

Polar Surface Area

53.290

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J093-0514 in Drug Discovery

Included in Screening Libraries

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 J093-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0514?
Check Price and Availability of J093-0514, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J093-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0514
  • 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 J093-0514 available by request