P181-0424 Screening compound: 1-acetyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide

P181-0424 Screening compound: 1-acetyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide
P181-0424 Screening compound: 1-acetyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0424
1-acetyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide

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

P181-0424

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

1-acetyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide

IUPAC name

1-acetyl-N-[2-(3-phenyl-124-oxadiazol-5-yl)thiophen-3-yl]piperidine-4-carboxamide

SMILES

CC(N(CC1)CCC1C(Nc1c(-c2nc(-c3ccccc3)no2)scc1)=O)=O

InChI

InChI=1S/C20H20N4O3S/c1-13(25)24-10-7-15(8-11-24)19(26)21-16-9-12-28-17(16)20-22-18(23-27-20)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3,(H,21,26)

InChI Key

RVQVALFITGKMMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.11

Polar Surface Area

72.444

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P181-0424 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P181-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0424?
Check Price and Availability of P181-0424, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P181-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0424
  • 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 P181-0424 available by request