4673-0443 Screening compound: ethyl 2-[(E)-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

4673-0443 Screening compound: ethyl 2-[(E)-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
4673-0443 Screening compound: ethyl 2-[(E)-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4673-0443
ethyl 2-[(E)-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methylidene]amino]-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

4673-0443

Molecular Formula

C20H17NO4S (C20 H17 NO4 S)

Compound Name

ethyl 2-[(E)-[(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methylidene]amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[(E)-[(13-dioxo-23-dihydro-1H-inden-2-yl)methylidene]amino]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(/N=C/C(C(c2c3cccc2)=O)C3=O)sc2c1CCC2)=O

InChI

InChI=1S/C20H17NO4S/c1-2-25-20(24)16-13-8-5-9-15(13)26-19(16)21-10-14-17(22)11-6-3-4-7-12(11)18(14)23/h3-4,6-7,10,14H,2,5,8-9H2,1H3

InChI Key

STOZKJQGKXZSEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03065057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

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

3.316

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-3.74

Polar Surface Area

55.780

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

-6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4673-0443 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4673-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4673-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4673-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4673-0443
  • 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 4673-0443 available by request