0083-0050 Screening compound: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

0083-0050 Screening compound: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile
0083-0050 Screening compound: 2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0050
2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

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

0083-0050

Molecular Formula

C12H14N2 (C12 H14 N2)

Compound Name

2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

IUPAC name

2-(355-trimethylcyclohex-2-en-1-ylidene)propanedinitrile

SMILES

CC(C)(CC(C)=C1)CC1=C(C#N)C#N

InChI

InChI=1S/C12H14N2/c1-9-4-10(11(7-13)8-14)6-12(2,3)5-9/h4H,5-6H2,1-3H3

InChI Key

QTUUBOZSGQFLRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

186.26

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.732

Water Solubility, LogSw

-2.70

Polar Surface Area

34.543

Acid Dissociation Constant (pKa)

32.78

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

0083-0050 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0083-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0050?
Check Price and Availability of 0083-0050, 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 0083-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0050
  • 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 0083-0050 available by request