8011-6559 Screening compound: 2-oxo-1-phenylpropyl cyanide

8011-6559 Screening compound: 2-oxo-1-phenylpropyl cyanide
8011-6559 Screening compound: 2-oxo-1-phenylpropyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6559
2-oxo-1-phenylpropyl cyanide

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

8011-6559

Molecular Formula

C10H9NO (C10 H9 NO)

Compound Name

2-oxo-1-phenylpropyl cyanide

IUPAC name

3-oxo-2-phenylbutanenitrile

SMILES

CC(C(c1ccccc1)C#N)=O

InChI

InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3/t10-/m0/s1

InChI Key

KHNWFTMUBKJWRZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00001867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

159.19

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

1.674

Distribution Coefficient, logD

1.672

Water Solubility, LogSw

-1.67

Polar Surface Area

31.121

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8011-6559 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8011-6559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6559?
Check Price and Availability of 8011-6559, 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 8011-6559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6559
  • 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 8011-6559 available by request