8020-2753 Screening compound: 3-(1H-indol-3-yl)-3-oxopropanenitrile

8020-2753 Screening compound: 3-(1H-indol-3-yl)-3-oxopropanenitrile
8020-2753 Screening compound: 3-(1H-indol-3-yl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2753
3-(1H-indol-3-yl)-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

8020-2753

Molecular Formula

C11H8N2O (C11 H8 N2 O)

Compound Name

3-(1H-indol-3-yl)-3-oxopropanenitrile

IUPAC name

3-(1H-indol-3-yl)-3-oxopropanenitrile

SMILES

N#CCC(c1c[nH]c2c1cccc2)=O

InChI

InChI=1S/C11H8N2O/c12-6-5-11(14)9-7-13-10-4-2-1-3-8(9)10/h1-4,7,13H,5H2

InChI Key

KSKBLDDGNWKWKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04610443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.661

Distribution Coefficient, logD

0.035

Water Solubility, LogSw

-2.40

Polar Surface Area

40.848

Acid Dissociation Constant (pKa)

5.78

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8020-2753 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2753?
Check Price and Availability of 8020-2753, 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 8020-2753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2753
  • 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 8020-2753 available by request