8020-2278 Screening compound: 5-(4-chlorophenyl)cyclohexane-1,3-dione

8020-2278 Screening compound: 5-(4-chlorophenyl)cyclohexane-1,3-dione
8020-2278 Screening compound: 5-(4-chlorophenyl)cyclohexane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2278
5-(4-chlorophenyl)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

8020-2278

Molecular Formula

C12H11ClO2 (C12 H11 ClO2)

Compound Name

5-(4-chlorophenyl)cyclohexane-1,3-dione

IUPAC name

5-(4-chlorophenyl)cyclohexane-13-dione

SMILES

O=C(CC(C1)c(cc2)ccc2Cl)CC1=O

InChI

InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2

InChI Key

MAFYKXZPGMHTIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00052452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.67

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

2.502

Distribution Coefficient, logD

-1.559

Water Solubility, LogSw

-2.86

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

33.30

8020-2278 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-2278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2278?
Check Price and Availability of 8020-2278, 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 8020-2278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2278
  • 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 8020-2278 available by request