J093-0436 Screening compound: 1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane

J093-0436 Screening compound: 1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane
J093-0436 Screening compound: 1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0436
1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]azepane

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

J093-0436

Molecular Formula

C20H20F3N5O (C20 H20 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1nc2nc(C(N3CCCCCC3)=O)nn2c(C(F)(F)F)c1

InChI

InChI=1S/C20H20F3N5O/c1-13-6-8-14(9-7-13)15-12-16(20(21,22)23)28-19(24-15)25-17(26-28)18(29)27-10-4-2-3-5-11-27/h6-9,12H,2-5,10-11H2,1H3

InChI Key

PRLBNRVBDCCCLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.592

Water Solubility, LogSw

-4.38

Polar Surface Area

46.760

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with J093-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0436?
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What is the minimum amount of J093-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0436
  • 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 J093-0436 available by request