8010-7007 Screening compound: 1-cyano-2-mesitylvinyl cyanide

8010-7007 Screening compound: 1-cyano-2-mesitylvinyl cyanide
8010-7007 Screening compound: 1-cyano-2-mesitylvinyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7007
1-cyano-2-mesitylvinyl 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

8010-7007

Molecular Formula

C13H12N2 (C13 H12 N2)

Compound Name

1-cyano-2-mesitylvinyl cyanide

IUPAC name

2-[(246-trimethylphenyl)methylidene]propanedinitrile

SMILES

Cc1cc(C)c(C=C(C#N)C#N)c(C)c1

InChI

InChI=1S/C13H12N2/c1-9-4-10(2)13(11(3)5-9)6-12(7-14)8-15/h4-6H,1-3H3

InChI Key

QOSQQUHFZLHOBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00453024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.590

Distribution Coefficient, logD

3.590

Water Solubility, LogSw

-3.58

Polar Surface Area

34.351

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.08

References: we are preparing a list of scientific research reports with 8010-7007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7007?
Check Price and Availability of 8010-7007, 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 8010-7007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7007
  • 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 8010-7007 available by request