6451-0719 Screening compound: ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate

6451-0719 Screening compound: ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate
6451-0719 Screening compound: ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6451-0719
ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate

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

6451-0719

Molecular Formula

C14H14O5S (C14 H14 O5 S)

Compound Name

ethyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate

IUPAC name

ethyl 78-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate

SMILES

CCOC(C(SC(c1c2OC)=O)=Cc1ccc2OC)=O

InChI

InChI=1S/C14H14O5S/c1-4-19-13(15)10-7-8-5-6-9(17-2)12(18-3)11(8)14(16)20-10/h5-7H,4H2,1-3H3

InChI Key

SCZXIWDQCBCCOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04064673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.791

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-2.97

Polar Surface Area

49.333

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6451-0719 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 6451-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6451-0719?
Check Price and Availability of 6451-0719, 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 6451-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6451-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6451-0719
  • 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 6451-0719 available by request