L946-0842 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-methylphenyl)benzamide

L946-0842 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-methylphenyl)benzamide
L946-0842 Screening compound: 4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L946-0842
4-{5-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl}-N-(3-methylphenyl)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

L946-0842

Molecular Formula

C28H25FN4O3 (C28 H25 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(c(cc2)ccc2-c2noc(C(CC3)CCN3C(c(cc3)ccc3F)=O)n2)=O)c1

InChI

InChI=1S/C28H25FN4O3/c1-18-3-2-4-24(17-18)30-26(34)20-7-5-19(6-8-20)25-31-27(36-32-25)21-13-15-33(16-14-21)28(35)22-9-11-23(29)12-10-22/h2-12,17,21H,13-16H2,1H3,(H,30,34)

InChI Key

MSDBYLXFGUARNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27488957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.53

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

5.343

Distribution Coefficient, logD

5.343

Water Solubility, LogSw

-5.35

Polar Surface Area

71.384

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

L946-0842 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 L946-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L946-0842?
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What is the minimum amount of L946-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L946-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L946-0842
  • 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 L946-0842 available by request