L946-0059 Screening compound: 4-[5-(1-benzoylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide

L946-0059 Screening compound: 4-[5-(1-benzoylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide
L946-0059 Screening compound: 4-[5-(1-benzoylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L946-0059
4-[5-(1-benzoylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-(4-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

L946-0059

Molecular Formula

C27H23FN4O3 (C27 H23 FN4 O3)

Compound Name

4-[5-(1-benzoylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide

IUPAC name

4-[5-(1-benzoylpiperidin-4-yl)-124-oxadiazol-3-yl]-N-(4-fluorophenyl)benzamide

SMILES

O=C(c(cc1)ccc1-c1noc(C(CC2)CCN2C(c2ccccc2)=O)n1)Nc(cc1)ccc1F

InChI

InChI=1S/C27H23FN4O3/c28-22-10-12-23(13-11-22)29-25(33)19-8-6-18(7-9-19)24-30-26(35-31-24)20-14-16-32(17-15-20)27(34)21-4-2-1-3-5-21/h1-13,20H,14-17H2,(H,29,33)

InChI Key

HZBLGTUXCLWRDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.5

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

4.878

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.91

Polar Surface Area

71.384

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L946-0059 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L946-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L946-0059?
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What is the minimum amount of L946-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L946-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L946-0059
  • 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 L946-0059 available by request