8020-1716 Screening compound: 3-(2-chlorophenyl)-3-oxopropanenitrile

8020-1716 Screening compound: 3-(2-chlorophenyl)-3-oxopropanenitrile
8020-1716 Screening compound: 3-(2-chlorophenyl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1716
3-(2-chlorophenyl)-3-oxopropanenitrile

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

8020-1716

Molecular Formula

C9H6ClNO (C9 H6 ClNO)

Compound Name

3-(2-chlorophenyl)-3-oxopropanenitrile

IUPAC name

3-(2-chlorophenyl)-3-oxopropanenitrile

SMILES

N#CCC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2

InChI Key

SBSWHTFHLWSSQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051624

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.794

Distribution Coefficient, logD

0.525

Water Solubility, LogSw

-2.92

Polar Surface Area

30.977

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8020-1716 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-1716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1716?
Check Price and Availability of 8020-1716, 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 8020-1716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1716
  • 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 8020-1716 available by request