8010-6197 Screening compound: 1-[(Z)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3-one

8010-6197 Screening compound: 1-[(Z)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3-one
8010-6197 Screening compound: 1-[(Z)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6197
1-[(Z)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3-one

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

8010-6197

Molecular Formula

C17H15NO4S (C17 H15 NO4 S)

Compound Name

1-[(Z)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3-one

IUPAC name

(1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-4-sulfanylidene-1H3H4H5H-furo[34-c]pyridin-3-one

SMILES

CCOc(cc(/C=C(/C(C=C(C)N1)=C2C1=S)\OC2=O)cc1)c1O

InChI

InChI=1S/C17H15NO4S/c1-3-21-14-8-10(4-5-12(14)19)7-13-11-6-9(2)18-16(23)15(11)17(20)22-13/h4-8,19H,3H2,1-2H3,(H,18,23)

InChI Key

HHDAYEUMLDKKLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

-0.040

Water Solubility, LogSw

-2.84

Polar Surface Area

57.463

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8010-6197 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6197?
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What is the minimum amount of 8010-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6197
  • 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 8010-6197 available by request