S291-0896 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

S291-0896 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
S291-0896 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S291-0896
N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-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

S291-0896

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

SMILES

O=C(CN(CCC1)C1=O)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C18H25N3O2/c22-17(14-21-10-4-7-18(21)23)19-16-8-11-20(12-9-16)13-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,22)

InChI Key

XDMWVQOOJQUAMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.512

Distribution Coefficient, logD

-1.046

Water Solubility, LogSw

-1.86

Polar Surface Area

45.238

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

S291-0896 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S291-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S291-0896?
Check Price and Availability of S291-0896, 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 S291-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S291-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S291-0896
  • 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 S291-0896 available by request