P162-0457 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

P162-0457 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
P162-0457 Screening compound: N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P162-0457
N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]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

P162-0457

Molecular Formula

C15H12ClN3O2S (C15 H12 ClN3 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-[5-(thiophen-3-yl)-134-oxadiazol-2-yl]acetamide

SMILES

Cc(ccc(NC(Cc1nnc(-c2cscc2)o1)=O)c1)c1Cl

InChI

InChI=1S/C15H12ClN3O2S/c1-9-2-3-11(6-12(9)16)17-13(20)7-14-18-19-15(21-14)10-4-5-22-8-10/h2-6,8H,7H2,1H3,(H,17,20)

InChI Key

LDUCNKPUAZQFIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.735

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.07

Polar Surface Area

54.316

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

P162-0457 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P162-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P162-0457?
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What is the minimum amount of P162-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P162-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P162-0457
  • 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 P162-0457 available by request