1982-0268 Screening compound: ethyl 2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

1982-0268 Screening compound: ethyl 2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
1982-0268 Screening compound: ethyl 2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1982-0268
ethyl 2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-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

1982-0268

Molecular Formula

C15H15NO3S2 (C15 H15 NO3 S2)

Compound Name

ethyl 2-(thiophene-2-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(thiophene-2-amido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cccs2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C15H15NO3S2/c1-2-19-15(18)12-9-5-3-6-10(9)21-14(12)16-13(17)11-7-4-8-20-11/h4,7-8H,2-3,5-6H2,1H3,(H,16,17)

InChI Key

AVLHWHZPFYAHTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00782443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.642

Distribution Coefficient, logD

0.884

Water Solubility, LogSw

-4.09

Polar Surface Area

45.183

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1982-0268 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1982-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1982-0268?
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What is the minimum amount of 1982-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1982-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1982-0268
  • 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 1982-0268 available by request