8011-9663 Screening compound: 1-(5-cyano-2,6-dioxo-4-phenyl-3-piperidyl)pyridinium

8011-9663 Screening compound: 1-(5-cyano-2,6-dioxo-4-phenyl-3-piperidyl)pyridinium
8011-9663 Screening compound: 1-(5-cyano-2,6-dioxo-4-phenyl-3-piperidyl)pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9663
1-(5-cyano-2,6-dioxo-4-phenyl-3-piperidyl)pyridinium

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

8011-9663

Molecular Formula

C17H14N3O2 (C17 H14 N3 O2)

Compound Name

1-(5-cyano-2,6-dioxo-4-phenyl-3-piperidyl)pyridinium

IUPAC name

1-(5-cyano-26-dioxo-4-phenylpiperidin-3-yl)-1lambda5-pyridin-1-ylium

SMILES

N#CC(C(C(C(N1)=O)[n+]2ccccc2)c2ccccc2)C1=O

InChI

InChI=1S/C17H13N3O2/c18-11-13-14(12-7-3-1-4-8-12)15(17(22)19-16(13)21)20-9-5-2-6-10-20/h1-10,13-15H/p+1

InChI Key

ABPUOIXKDMBDKW-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02734957

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

292.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.677

Distribution Coefficient, logD

-0.429

Water Solubility, LogSw

-1.60

Polar Surface Area

57.233

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-8.39

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.60

8011-9663 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Fragments

References: we are preparing a list of scientific research reports with 8011-9663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9663?
Check Price and Availability of 8011-9663, 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 8011-9663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9663
  • 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 8011-9663 available by request