Y020-8337 Screening compound: 5-(3-methylphenyl)cyclohexane-1,3-dione

Y020-8337 Screening compound: 5-(3-methylphenyl)cyclohexane-1,3-dione
Y020-8337 Screening compound: 5-(3-methylphenyl)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-8337
5-(3-methylphenyl)cyclohexane-1,3-dione

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

Y020-8337

Molecular Formula

C13H14O2 (C13 H14 O2)

Compound Name

5-(3-methylphenyl)cyclohexane-1,3-dione

IUPAC name

5-(3-methylphenyl)cyclohexane-13-dione

SMILES

Cc1cccc(C(CC(C2)=O)CC2=O)c1

InChI

InChI=1S/C13H14O2/c1-9-3-2-4-10(5-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3

InChI Key

PNVNVCYTGLOTGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08753427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

202.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.279

Distribution Coefficient, logD

-1.781

Water Solubility, LogSw

-2.56

Polar Surface Area

26.858

Acid Dissociation Constant (pKa)

3.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

Y020-8337 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y020-8337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-8337?
Check Price and Availability of Y020-8337, 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 Y020-8337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-8337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-8337
  • 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 Y020-8337 available by request