0913-0016 Screening compound: 4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

0913-0016 Screening compound: 4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile
0913-0016 Screening compound: 4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0913-0016
4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

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

0913-0016

Molecular Formula

C10H11N3O2 (C10 H11 N3 O2)

Compound Name

4-ethyl-4-methyl-2,6-dioxopiperidine-3,5-dicarbonitrile

IUPAC name

4-ethyl-4-methyl-26-dioxopiperidine-35-dicarbonitrile

SMILES

CCC(C)(C(C(NC1=O)=O)C#N)C1C#N

InChI

InChI=1S/C10H11N3O2/c1-3-10(2)6(4-11)8(14)13-9(15)7(10)5-12/h6-7H,3H2,1-2H3,(H,13,14,15)

InChI Key

ISARNQWKABTJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00023875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.139

Distribution Coefficient, logD

-0.142

Water Solubility, LogSw

-1.32

Polar Surface Area

73.022

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

0913-0016 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0913-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0913-0016?
Check Price and Availability of 0913-0016, 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 0913-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0913-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0913-0016
  • 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 0913-0016 available by request