8011-9659 Screening compound: 1-[4-(2-chlorophenyl)-5-cyano-2,6-dioxo-3-piperidyl]pyridinium

8011-9659 Screening compound: 1-[4-(2-chlorophenyl)-5-cyano-2,6-dioxo-3-piperidyl]pyridinium
8011-9659 Screening compound: 1-[4-(2-chlorophenyl)-5-cyano-2,6-dioxo-3-piperidyl]pyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9659
1-[4-(2-chlorophenyl)-5-cyano-2,6-dioxo-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

8011-9659

Molecular Formula

C17H13ClN3O2 (C17 H13 ClN3 O2)

Compound Name

1-[4-(2-chlorophenyl)-5-cyano-2,6-dioxo-3-piperidyl]pyridinium

IUPAC name

1-[4-(2-chlorophenyl)-5-cyano-26-dioxopiperidin-3-yl]-1lambda5-pyridin-1-ylium

SMILES

N#CC(C(C(C(N1)=O)[n+]2ccccc2)c(cccc2)c2Cl)C1=O

InChI

InChI=1S/C17H12ClN3O2/c18-13-7-3-2-6-11(13)14-12(10-19)16(22)20-17(23)15(14)21-8-4-1-5-9-21/h1-9,12,14-15H/p+1

InChI Key

ALXCTOSLYFYVIW-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD02734962

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

326.76

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

1.248

Distribution Coefficient, logD

0.143

Water Solubility, LogSw

-2.34

Polar Surface Area

57.233

Acid Dissociation Constant (pKa)

6.33

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

17.60

8011-9659 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8011-9659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9659?
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What is the minimum amount of 8011-9659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9659
  • 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 8011-9659 available by request