P321-0161 Screening compound: N-[(5-methylfuran-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide

P321-0161 Screening compound: N-[(5-methylfuran-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
P321-0161 Screening compound: N-[(5-methylfuran-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P321-0161
N-[(5-methylfuran-2-yl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-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

P321-0161

Molecular Formula

C20H22N4O3 (C20 H22 N4 O3)

Compound Name

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

IUPAC name

N-[(5-methylfuran-2-yl)methyl]-1-(5-phenyl-134-oxadiazol-2-yl)piperidine-4-carboxamide

SMILES

Cc1ccc(CNC(C(CC2)CCN2c2nnc(-c3ccccc3)o2)=O)o1

InChI

InChI=1S/C20H22N4O3/c1-14-7-8-17(26-14)13-21-18(25)15-9-11-24(12-10-15)20-23-22-19(27-20)16-5-3-2-4-6-16/h2-8,15H,9-13H2,1H3,(H,21,25)

InChI Key

NYCRZINUUOKJTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27572560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.636

Water Solubility, LogSw

-2.75

Polar Surface Area

65.954

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

P321-0161 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P321-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P321-0161?
Check Price and Availability of P321-0161, 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 P321-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P321-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P321-0161
  • 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 P321-0161 available by request