J093-0440 Screening compound: 4-methyl-1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperidine

J093-0440 Screening compound: 4-methyl-1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperidine
J093-0440 Screening compound: 4-methyl-1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J093-0440
4-methyl-1-[5-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl]piperidine

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

J093-0440

Molecular Formula

C20H20F3N5O (C20 H20 F3 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1C(c1nn2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc2n1)=O

InChI

InChI=1S/C20H20F3N5O/c1-12-3-5-14(6-4-12)15-11-16(20(21,22)23)28-19(24-15)25-17(26-28)18(29)27-9-7-13(2)8-10-27/h3-6,11,13H,7-10H2,1-2H3

InChI Key

YWLRLINMFOYAIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224667

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

4.426

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.30

Polar Surface Area

46.429

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

J093-0440 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 J093-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J093-0440?
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What is the minimum amount of J093-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J093-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J093-0440
  • 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 J093-0440 available by request