J093-0735 Screening compound: 1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

J093-0735 Screening compound: 1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
J093-0735 Screening compound: 1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0735
1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

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

J093-0735

Molecular Formula

C21H16F4N6O2 (C21 H16 F4 N6 O2)

Compound Name

1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-(2-fluorophenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2n1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C21H16F4N6O2/c22-13-4-1-2-5-15(13)29-7-9-30(10-8-29)19(32)18-27-20-26-14(16-6-3-11-33-16)12-17(21(23,24)25)31(20)28-18/h1-6,11-12H,7-10H2

InChI Key

NDJDOFBZRQJZCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.75

Polar Surface Area

57.967

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J093-0735 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J093-0735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0735?
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What is the minimum amount of J093-0735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0735
  • 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 J093-0735 available by request