L946-0694 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide

L946-0694 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide
L946-0694 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L946-0694
4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide

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

L946-0694

Molecular Formula

C27H22F2N4O3 (C27 H22 F2 N4 O3)

Compound Name

4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide

IUPAC name

4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-124-oxadiazol-3-yl}-N-(3-fluorophenyl)benzamide

SMILES

O=C(c(cc1)ccc1-c1noc(C(CC2)CCN2C(c(cc2)ccc2F)=O)n1)Nc1cccc(F)c1

InChI

InChI=1S/C27H22F2N4O3/c28-21-10-8-20(9-11-21)27(35)33-14-12-19(13-15-33)26-31-24(32-36-26)17-4-6-18(7-5-17)25(34)30-23-3-1-2-22(29)16-23/h1-11,16,19H,12-15H2,(H,30,34)

InChI Key

JCALQNSUZKCEGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.136

Distribution Coefficient, logD

5.132

Water Solubility, LogSw

-5.46

Polar Surface Area

71.384

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L946-0694 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L946-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L946-0694?
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What is the minimum amount of L946-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L946-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L946-0694
  • 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 L946-0694 available by request