C797-1310 Screening compound: 2-[(2-oxopropyl)sulfanyl]benzoic acid

C797-1310 Screening compound: 2-[(2-oxopropyl)sulfanyl]benzoic acid
C797-1310 Screening compound: 2-[(2-oxopropyl)sulfanyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1310
2-[(2-oxopropyl)sulfanyl]benzoic 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

C797-1310

Molecular Formula

C10H10O3S (C10 H10 O3 S)

Compound Name

2-[(2-oxopropyl)sulfanyl]benzoic acid

IUPAC name

2-[(2-oxopropyl)sulfanyl]benzoic acid

SMILES

CC(CSc(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C10H10O3S/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3,(H,12,13)

InChI Key

QIFGESFKZRVPBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06355960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

-0.964

Water Solubility, LogSw

-2.20

Polar Surface Area

41.982

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C797-1310 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C797-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1310?
Check Price and Availability of C797-1310, 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 C797-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1310
  • 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 C797-1310 available by request