Y043-8287 Screening compound: 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid

Y043-8287 Screening compound: 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid
Y043-8287 Screening compound: 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8287
7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic 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

Y043-8287

Molecular Formula

C12H10O5S (C12 H10 O5 S)

Compound Name

7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid

IUPAC name

78-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylic acid

SMILES

COc1ccc(C=C(C(O)=O)SC2=O)c2c1OC

InChI

InChI=1S/C12H10O5S/c1-16-7-4-3-6-5-8(11(13)14)18-12(15)9(6)10(7)17-2/h3-5H,1-2H3,(H,13,14)

InChI Key

UZOICEKOYMNEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04481451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.677

Distribution Coefficient, logD

-2.007

Water Solubility, LogSw

-2.06

Polar Surface Area

56.987

Acid Dissociation Constant (pKa)

3.72

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y043-8287 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-8287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8287?
Check Price and Availability of Y043-8287, 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 Y043-8287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8287
  • 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 Y043-8287 available by request