1682-4322 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

1682-4322 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate
1682-4322 Screening compound: 4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-4322
4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-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

1682-4322

Molecular Formula

C15H10O4S (C15 H10 O4 S)

Compound Name

4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

IUPAC name

4-methyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

SMILES

CC(c(ccc(OC(c1cccs1)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C15H10O4S/c1-9-7-14(16)19-12-8-10(4-5-11(9)12)18-15(17)13-3-2-6-20-13/h2-8H,1H3

InChI Key

ZLWVWALRMZOWGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00596440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.43

Polar Surface Area

42.042

Acid Dissociation Constant (pKa)

31.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1682-4322 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1682-4322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-4322?
Check Price and Availability of 1682-4322, 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 1682-4322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-4322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-4322
  • 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 1682-4322 available by request