J093-0657 Screening compound: N-(3-fluorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0657 Screening compound: N-(3-fluorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0657 Screening compound: N-(3-fluorophenyl)-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 J093-0657
N-(3-fluorophenyl)-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

J093-0657

Molecular Formula

C17H9F4N5O2 (C17 H9 F4 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)Nc1cccc(F)c1

InChI

InChI=1S/C17H9F4N5O2/c18-9-3-1-4-10(7-9)22-15(27)14-24-16-23-11(12-5-2-6-28-12)8-13(17(19,20)21)26(16)25-14/h1-8H,(H,22,27)

InChI Key

DTBRBRHLLCRPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.28

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

3.473

Distribution Coefficient, logD

3.472

Water Solubility, LogSw

-3.76

Polar Surface Area

61.451

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with J093-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0657?
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What is the minimum amount of J093-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0657
  • 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 J093-0657 available by request