J093-0672 Screening compound: 1-(2,3-dimethylphenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

J093-0672 Screening compound: 1-(2,3-dimethylphenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
J093-0672 Screening compound: 1-(2,3-dimethylphenyl)-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 J093-0672
1-(2,3-dimethylphenyl)-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

J093-0672

Molecular Formula

C23H21F3N6O2 (C23 H21 F3 N6 O2)

Compound Name

1-(2,3-dimethylphenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

IUPAC name

1-(23-dimethylphenyl)-4-[5-(furan-2-yl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carbonyl]piperazine

SMILES

Cc1cccc(N(CC2)CCN2C(c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3n2)=O)c1C

InChI

InChI=1S/C23H21F3N6O2/c1-14-5-3-6-17(15(14)2)30-8-10-31(11-9-30)21(33)20-28-22-27-16(18-7-4-12-34-18)13-19(23(24,25)26)32(22)29-20/h3-7,12-13H,8-11H2,1-2H3

InChI Key

GXHLYFSXFLNJNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.45

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

4.338

Distribution Coefficient, logD

4.338

Water Solubility, LogSw

-4.40

Polar Surface Area

57.967

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with J093-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0672?
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What is the minimum amount of J093-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0672
  • 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 J093-0672 available by request