8012-6481 Screening compound: 3,3,5-trimethyl-4-cyclohexene-1,2-dicarboxylic acid

8012-6481 Screening compound: 3,3,5-trimethyl-4-cyclohexene-1,2-dicarboxylic acid
8012-6481 Screening compound: 3,3,5-trimethyl-4-cyclohexene-1,2-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6481
3,3,5-trimethyl-4-cyclohexene-1,2-dicarboxylic acid

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

8012-6481

Molecular Formula

C11H16O4 (C11 H16 O4)

Compound Name

3,3,5-trimethyl-4-cyclohexene-1,2-dicarboxylic acid

IUPAC name

335-trimethylcyclohex-4-ene-12-dicarboxylic acid

SMILES

CC(C)(C1C(O)=O)C=C(C)CC1C(O)=O

InChI

InChI=1S/C11H16O4/c1-6-4-7(9(12)13)8(10(14)15)11(2,3)5-6/h5,7-8H,4H2,1-3H3,(H,12,13)(H,14,15)

InChI Key

FXRAOARZHSCPPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00452160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.330

Distribution Coefficient, logD

-1.345

Water Solubility, LogSw

-1.93

Polar Surface Area

57.247

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

8012-6481 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8012-6481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6481?
Check Price and Availability of 8012-6481, 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 8012-6481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6481
  • 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 8012-6481 available by request