4488-1588 Screening compound: ethyl 2-(furan-2-amido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4488-1588 Screening compound: ethyl 2-(furan-2-amido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4488-1588 Screening compound: ethyl 2-(furan-2-amido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1588
ethyl 2-(furan-2-amido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-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

4488-1588

Molecular Formula

C16H15NO5S (C16 H15 NO5 S)

Compound Name

ethyl 2-(furan-2-amido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(furan-2-amido)-7-oxo-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2ccco2)=O)sc2c1CCCC2=O)=O

InChI

InChI=1S/C16H15NO5S/c1-2-21-16(20)12-9-5-3-6-10(18)13(9)23-15(12)17-14(19)11-7-4-8-22-11/h4,7-8H,2-3,5-6H2,1H3,(H,17,19)

InChI Key

TVLCAJWAYGVSRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00783312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.780

Distribution Coefficient, logD

-0.936

Water Solubility, LogSw

-3.36

Polar Surface Area

65.625

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

-9.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

4488-1588 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4488-1588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1588?
Check Price and Availability of 4488-1588, 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 4488-1588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1588
  • 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 4488-1588 available by request