R094-0005 Screening compound: 4-(4-chlorophenyl)-4-oxobutanoic acid

R094-0005 Screening compound: 4-(4-chlorophenyl)-4-oxobutanoic acid
R094-0005 Screening compound: 4-(4-chlorophenyl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R094-0005
4-(4-chlorophenyl)-4-oxobutanoic 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

R094-0005

Molecular Formula

C10H9ClO3 (C10 H9 ClO3)

Compound Name

4-(4-chlorophenyl)-4-oxobutanoic acid

IUPAC name

4-(4-chlorophenyl)-4-oxobutanoic acid

SMILES

OC(CCC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChI Key

AHVASTJJVAYFPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00002794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.929

Distribution Coefficient, logD

-0.831

Water Solubility, LogSw

-2.59

Polar Surface Area

41.869

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

R094-0005 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R094-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R094-0005?
Check Price and Availability of R094-0005, 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 R094-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R094-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R094-0005
  • 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 R094-0005 available by request