0209-0005 Screening compound: 4-oxo-3-phenylpentanenitrile

0209-0005 Screening compound: 4-oxo-3-phenylpentanenitrile
0209-0005 Screening compound: 4-oxo-3-phenylpentanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0209-0005
4-oxo-3-phenylpentanenitrile

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

0209-0005

Molecular Formula

C11H11NO (C11 H11 NO)

Compound Name

4-oxo-3-phenylpentanenitrile

IUPAC name

4-oxo-3-phenylpentanenitrile

SMILES

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

InChI

InChI=1S/C11H11NO/c1-9(13)11(7-8-12)10-5-3-2-4-6-10/h2-6,11H,7H2,1H3/t11-/m0/s1

InChI Key

JJJRQDLYKDBUMU-NSHDSACASA-N

MDL Number (MFCD)

MFCD00983989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

173.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

1.587

Water Solubility, LogSw

-1.60

Polar Surface Area

31.557

Acid Dissociation Constant (pKa)

12.60

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

0209-0005 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0209-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0209-0005?
Check Price and Availability of 0209-0005, 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 0209-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0209-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0209-0005
  • 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 0209-0005 available by request