8018-8271 Screening compound: ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

8018-8271 Screening compound: ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
8018-8271 Screening compound: ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8271
ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-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

8018-8271

Molecular Formula

C26H22N2O4S (C26 H22 N2 O4 S)

Compound Name

ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[2-oxo-2-(2-phenyl-1H-indol-3-yl)acetamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(c2c(-c3ccccc3)[nH]c3c2cccc3)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C26H22N2O4S/c1-2-32-26(31)21-17-12-8-14-19(17)33-25(21)28-24(30)23(29)20-16-11-6-7-13-18(16)27-22(20)15-9-4-3-5-10-15/h3-7,9-11,13,27H,2,8,12,14H2,1H3,(H,28,30)

InChI Key

HRLKLNBZXHESBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

1.330

Water Solubility, LogSw

-5.44

Polar Surface Area

67.751

Acid Dissociation Constant (pKa)

3.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8018-8271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-8271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8271?
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What is the minimum amount of 8018-8271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8271
  • 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 8018-8271 available by request