C328-0140 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

C328-0140 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
C328-0140 Screening compound: N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0140
N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

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

C328-0140

Molecular Formula

C25H27ClN4O4S (C25 H27 ClN4 O4 S)

Compound Name

N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

IUPAC name

N-[(5-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide

SMILES

O=C(COc(cc1)ccc1Cl)NCc(o1)nnc1SCC(N1CCC(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C25H27ClN4O4S/c26-20-6-8-21(9-7-20)33-16-22(31)27-15-23-28-29-25(34-23)35-17-24(32)30-12-10-19(11-13-30)14-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,27,31)

InChI Key

IWOFOCWTUFQXGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.866

Water Solubility, LogSw

-4.44

Polar Surface Area

77.821

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C328-0140 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C328-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0140?
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What is the minimum amount of C328-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0140
  • 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 C328-0140 available by request