5490-0080 Screening compound: (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid

5490-0080 Screening compound: (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid
5490-0080 Screening compound: (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5490-0080
(2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic 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

5490-0080

Molecular Formula

C12H8O4 (C12 H8 O4)

Compound Name

(2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid

IUPAC name

(2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid

SMILES

OC(/C=C/C1=COc(cccc2)c2C1=O)=O

InChI

InChI=1S/C12H8O4/c13-11(14)6-5-8-7-16-10-4-2-1-3-9(10)12(8)15/h1-7H,(H,13,14)

InChI Key

JTKDMUFCCJDYLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01548049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

-2.866

Water Solubility, LogSw

-2.26

Polar Surface Area

49.515

Acid Dissociation Constant (pKa)

2.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5490-0080 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5490-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5490-0080?
Check Price and Availability of 5490-0080, 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 5490-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5490-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5490-0080
  • 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 5490-0080 available by request