P181-0326 Screening compound: 4-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

P181-0326 Screening compound: 4-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
P181-0326 Screening compound: 4-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0326
4-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]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

P181-0326

Molecular Formula

C20H12N4O2S (C20 H12 N4 O2 S)

Compound Name

4-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide

IUPAC name

4-cyano-N-[2-(3-phenyl-124-oxadiazol-5-yl)thiophen-3-yl]benzamide

SMILES

N#Cc(cc1)ccc1C(Nc1c(-c2nc(-c3ccccc3)no2)scc1)=O

InChI

InChI=1S/C20H12N4O2S/c21-12-13-6-8-15(9-7-13)19(25)22-16-10-11-27-17(16)20-23-18(24-26-20)14-4-2-1-3-5-14/h1-11H,(H,22,25)

InChI Key

NUQCSAJPBNLUCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.51

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

P181-0326 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 P181-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0326?
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What is the minimum amount of P181-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0326
  • 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 P181-0326 available by request