J093-0676 Screening compound: N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0676 Screening compound: N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0676 Screening compound: N-(3-chloro-2-methylphenyl)-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 J093-0676
N-(3-chloro-2-methylphenyl)-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

J093-0676

Molecular Formula

C18H11ClF3N5O2 (C18 H11 ClF3 N5 O2)

Compound Name

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

IUPAC name

N-(3-chloro-2-methylphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(c(NC(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)=O)ccc1)c1Cl

InChI

InChI=1S/C18H11ClF3N5O2/c1-9-10(19)4-2-5-11(9)23-16(28)15-25-17-24-12(13-6-3-7-29-13)8-14(18(20,21)22)27(17)26-15/h2-8H,1H3,(H,23,28)

InChI Key

ZDLRWTOYKPKLJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.54

Polar Surface Area

60.753

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with J093-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0676?
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What is the minimum amount of J093-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0676
  • 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 J093-0676 available by request