J093-0066 Screening compound: N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0066 Screening compound: N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0066 Screening compound: N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0066
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-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

J093-0066

Molecular Formula

C21H15F4N5O (C21 H15 F4 N5 O)

Compound Name

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

IUPAC name

N-(34-dimethylphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(c1nn2c(C(F)(F)F)cc(-c(cc3)ccc3F)nc2n1)=O

InChI

InChI=1S/C21H15F4N5O/c1-11-3-8-15(9-12(11)2)26-19(31)18-28-20-27-16(13-4-6-14(22)7-5-13)10-17(21(23,24)25)30(20)29-18/h3-10H,1-2H3,(H,26,31)

InChI Key

YJFRBCXGVZWFDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.429

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.42

Polar Surface Area

52.872

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J093-0066 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with J093-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0066?
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What is the minimum amount of J093-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0066
  • 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 J093-0066 available by request