J093-0527 Screening compound: N-(4-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

J093-0527 Screening compound: N-(4-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
J093-0527 Screening compound: N-(4-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0527
N-(4-bromophenyl)-5-(4-methylphenyl)-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

J093-0527

Molecular Formula

C20H13BrF3N5O (C20 H13 BrF3 N5 O)

Compound Name

N-(4-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

N-(4-bromophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc(cc1)ccc1-c1nc2nc(C(Nc(cc3)ccc3Br)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C20H13BrF3N5O/c1-11-2-4-12(5-3-11)15-10-16(20(22,23)24)29-19(26-15)27-17(28-29)18(30)25-14-8-6-13(21)7-9-14/h2-10H,1H3,(H,25,30)

InChI Key

FSYIJFJAXJAKNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

5.670

Water Solubility, LogSw

-5.43

Polar Surface Area

52.872

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with J093-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0527?
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What is the minimum amount of J093-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0527
  • 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 J093-0527 available by request