1493-0369 Screening compound: 1-methylcyclohexane-1-carboxylic acid

1493-0369 Screening compound: 1-methylcyclohexane-1-carboxylic acid
1493-0369 Screening compound: 1-methylcyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1493-0369
1-methylcyclohexane-1-carboxylic 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

1493-0369

Molecular Formula

C8H14O2 (C8 H14 O2)

Compound Name

1-methylcyclohexane-1-carboxylic acid

IUPAC name

1-methylcyclohexane-1-carboxylic acid

SMILES

CC1(CCCCC1)C(O)=O

InChI

InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)

InChI Key

REHQLKUNRPCYEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00001463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

142.2

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

-0.581

Water Solubility, LogSw

-1.40

Polar Surface Area

28.839

Acid Dissociation Constant (pKa)

5.08

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

87.50

1493-0369 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1493-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1493-0369?
Check Price and Availability of 1493-0369, 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 1493-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1493-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1493-0369
  • 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 1493-0369 available by request