J065-0268 Screening compound: N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

J065-0268 Screening compound: N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide
J065-0268 Screening compound: N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J065-0268
N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-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

J065-0268

Molecular Formula

C23H25FN4O2 (C23 H25 FN4 O2)

Compound Name

N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

IUPAC name

N-[(4-fluorophenyl)methyl]-1-{[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1-c1nc(CN(CC2)CCC2C(NCc(cc2)ccc2F)=O)no1

InChI

InChI=1S/C23H25FN4O2/c1-16-2-6-19(7-3-16)23-26-21(27-30-23)15-28-12-10-18(11-13-28)22(29)25-14-17-4-8-20(24)9-5-17/h2-9,18H,10-15H2,1H3,(H,25,29)

InChI Key

VCOCDAOWCLWXBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.08

Polar Surface Area

61.052

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

J065-0268 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J065-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J065-0268?
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What is the minimum amount of J065-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J065-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J065-0268
  • 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 J065-0268 available by request