1313-0563 Screening compound: 4-oxo-4-(thiophen-2-yl)butanoic acid

1313-0563 Screening compound: 4-oxo-4-(thiophen-2-yl)butanoic acid
1313-0563 Screening compound: 4-oxo-4-(thiophen-2-yl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0563
4-oxo-4-(thiophen-2-yl)butanoic 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

1313-0563

Molecular Formula

C8H8O3S (C8 H8 O3 S)

Compound Name

4-oxo-4-(thiophen-2-yl)butanoic acid

IUPAC name

4-oxo-4-(thiophen-2-yl)butanoic acid

SMILES

OC(CCC(c1cccs1)=O)=O

InChI

InChI=1S/C8H8O3S/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5H,3-4H2,(H,10,11)

InChI Key

ULJMYWHLMLRYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

184.22

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

1.241

Distribution Coefficient, logD

-1.533

Water Solubility, LogSw

-1.75

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

1313-0563 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1313-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0563?
Check Price and Availability of 1313-0563, 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 1313-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0563
  • 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 1313-0563 available by request