8181-2173 Screening compound: ethyl 2-(4-acetamidobenzenesulfonamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

8181-2173 Screening compound: ethyl 2-(4-acetamidobenzenesulfonamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
8181-2173 Screening compound: ethyl 2-(4-acetamidobenzenesulfonamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8181-2173
ethyl 2-(4-acetamidobenzenesulfonamido)-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

8181-2173

Molecular Formula

C18H20N2O5S2 (C18 H20 N2 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(NS(c(cc2)ccc2NC(C)=O)(=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C18H20N2O5S2/c1-3-25-18(22)16-14-5-4-6-15(14)26-17(16)20-27(23,24)13-9-7-12(8-10-13)19-11(2)21/h7-10,20H,3-6H2,1-2H3,(H,19,21)

InChI Key

RBSBXFCHERQBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01134340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

-2.417

Water Solubility, LogSw

-3.35

Polar Surface Area

84.985

Acid Dissociation Constant (pKa)

2.21

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8181-2173 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8181-2173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8181-2173?
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What is the minimum amount of 8181-2173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8181-2173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8181-2173
  • 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 8181-2173 available by request