S215-0133 Screening compound: 2-{[2-oxo-3-(1-pyrrolidinyl)piperidino]methyl}benzonitrile

S215-0133 Screening compound: 2-{[2-oxo-3-(1-pyrrolidinyl)piperidino]methyl}benzonitrile
S215-0133 Screening compound: 2-{[2-oxo-3-(1-pyrrolidinyl)piperidino]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S215-0133
2-{[2-oxo-3-(1-pyrrolidinyl)piperidino]methyl}benzonitrile

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

S215-0133

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

2-{[2-oxo-3-(1-pyrrolidinyl)piperidino]methyl}benzonitrile

IUPAC name

2-{[2-oxo-3-(pyrrolidin-1-yl)piperidin-1-yl]methyl}benzonitrile

SMILES

N#Cc1c(CN(CCCC2N3CCCC3)C2=O)cccc1

InChI

InChI=1S/C17H21N3O/c18-12-14-6-1-2-7-15(14)13-20-11-5-8-16(17(20)21)19-9-3-4-10-19/h1-2,6-7,16H,3-5,8-11,13H2/t16-/m0/s1

InChI Key

JSZNCBWAFCAPSW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27617747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-2.44

Polar Surface Area

36.838

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S215-0133 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S215-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S215-0133?
Check Price and Availability of S215-0133, 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 S215-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S215-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S215-0133
  • 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 S215-0133 available by request