8009-4162 Screening compound: 1-cyano-1-(dicyanomethyl)-3-oxo-2-phenylbutyl cyanide

8009-4162 Screening compound: 1-cyano-1-(dicyanomethyl)-3-oxo-2-phenylbutyl cyanide
8009-4162 Screening compound: 1-cyano-1-(dicyanomethyl)-3-oxo-2-phenylbutyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4162
1-cyano-1-(dicyanomethyl)-3-oxo-2-phenylbutyl 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

8009-4162

Molecular Formula

C15H10N4O (C15 H10 N4 O)

Compound Name

1-cyano-1-(dicyanomethyl)-3-oxo-2-phenylbutyl cyanide

IUPAC name

1-(2-oxo-1-phenylpropyl)ethane-1122-tetracarbonitrile

SMILES

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

InChI

InChI=1S/C15H10N4O/c1-11(20)14(12-5-3-2-4-6-12)15(9-18,10-19)13(7-16)8-17/h2-6,13-14H,1H3/t14-/m0/s1

InChI Key

JBXARIRBDYYREL-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD01572076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.489

Distribution Coefficient, logD

-3.707

Water Solubility, LogSw

-1.45

Polar Surface Area

82.290

Acid Dissociation Constant (pKa)

2.20

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with 8009-4162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4162?
Check Price and Availability of 8009-4162, 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 8009-4162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4162
  • 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 8009-4162 available by request