J093-0483 Screening compound: 1-(4-fluorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine

J093-0483 Screening compound: 1-(4-fluorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine
J093-0483 Screening compound: 1-(4-fluorophenyl)-4-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0483
1-(4-fluorophenyl)-4-[5-(4-methylphenyl)-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

J093-0483

Molecular Formula

C24H20F4N6O (C24 H20 F4 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc2nc(C(N(CC3)CCN3c(cc3)ccc3F)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C24H20F4N6O/c1-15-2-4-16(5-3-15)19-14-20(24(26,27)28)34-23(29-19)30-21(31-34)22(35)33-12-10-32(11-13-33)18-8-6-17(25)7-9-18/h2-9,14H,10-13H2,1H3

InChI Key

MIXPCWBEHXQVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18484408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.69

Polar Surface Area

49.690

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

J093-0483 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J093-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0483?
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What is the minimum amount of J093-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0483
  • 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 J093-0483 available by request