S560-0034 Screening compound: N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-carboxamide

S560-0034 Screening compound: N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-carboxamide
S560-0034 Screening compound: N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S560-0034
N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-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

S560-0034

Molecular Formula

C17H23N3O2 (C17 H23 N3 O2)

Compound Name

N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-carboxamide

IUPAC name

N-benzyl-5-oxo-1-(piperidin-4-yl)pyrrolidine-2-carboxamide

SMILES

O=C(C(CC1)N(C2CCNCC2)C1=O)NCc1ccccc1

InChI

InChI=1S/C17H23N3O2/c21-16-7-6-15(20(16)14-8-10-18-11-9-14)17(22)19-12-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,19,22)/t15-/m1/s1

InChI Key

GICRVXFUFSGQKC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28897701

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.527

Distribution Coefficient, logD

-3.521

Water Solubility, LogSw

-1.47

Polar Surface Area

52.610

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

10.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

S560-0034 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S560-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S560-0034?
Check Price and Availability of S560-0034, 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 S560-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S560-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S560-0034
  • 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 S560-0034 available by request