J065-1085 Screening compound: 1-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

J065-1085 Screening compound: 1-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
J065-1085 Screening compound: 1-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J065-1085
1-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-N-(2,2,2-trifluoroethyl)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

J065-1085

Molecular Formula

C17H18F4N4O2 (C17 H18 F4 N4 O2)

Compound Name

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

IUPAC name

1-{[5-(4-fluorophenyl)-124-oxadiazol-3-yl]methyl}-N-(222-trifluoroethyl)piperidine-4-carboxamide

SMILES

O=C(C1CCN(Cc2noc(-c(cc3)ccc3F)n2)CC1)NCC(F)(F)F

InChI

InChI=1S/C17H18F4N4O2/c18-13-3-1-12(2-4-13)16-23-14(24-27-16)9-25-7-5-11(6-8-25)15(26)22-10-17(19,20)21/h1-4,11H,5-10H2,(H,22,26)

InChI Key

MIBFJDMKMYIUIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.35

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

2.194

Distribution Coefficient, logD

2.172

Water Solubility, LogSw

-2.59

Polar Surface Area

61.324

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

J065-1085 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J065-1085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J065-1085?
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What is the minimum amount of J065-1085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J065-1085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J065-1085
  • 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 J065-1085 available by request