K780-0739 Screening compound: 3-[(4-chlorophenyl)sulfanyl]propanoic acid

K780-0739 Screening compound: 3-[(4-chlorophenyl)sulfanyl]propanoic acid
K780-0739 Screening compound: 3-[(4-chlorophenyl)sulfanyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0739
3-[(4-chlorophenyl)sulfanyl]propanoic 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

K780-0739

Molecular Formula

C9H9ClO2S (C9 H9 ClO2 S)

Compound Name

3-[(4-chlorophenyl)sulfanyl]propanoic acid

IUPAC name

3-[(4-chlorophenyl)sulfanyl]propanoic acid

SMILES

OC(CCSc(cc1)ccc1Cl)=O

InChI

InChI=1S/C9H9ClO2S/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)

InChI Key

JGJULSJGGIMHBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

-0.082

Water Solubility, LogSw

-2.62

Polar Surface Area

28.622

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K780-0739 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K780-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0739?
Check Price and Availability of K780-0739, 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 K780-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0739
  • 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 K780-0739 available by request