3261-0953 Screening compound: 2-[(2-chlorobenzoyl)amino]-N~3~-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

3261-0953 Screening compound: 2-[(2-chlorobenzoyl)amino]-N~3~-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
3261-0953 Screening compound: 2-[(2-chlorobenzoyl)amino]-N~3~-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0953
2-[(2-chlorobenzoyl)amino]-N~3~-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

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

3261-0953

Molecular Formula

C23H21ClN2O2S (C23 H21 ClN2 O2 S)

Compound Name

2-[(2-chlorobenzoyl)amino]-N~3~-(2-ethylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-(2-chlorobenzamido)-N-(2-ethylphenyl)-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

CCc(cccc1)c1NC(c1c(NC(c(cccc2)c2Cl)=O)sc2c1CCC2)=O

InChI

InChI=1S/C23H21ClN2O2S/c1-2-14-8-3-6-12-18(14)25-22(28)20-16-10-7-13-19(16)29-23(20)26-21(27)15-9-4-5-11-17(15)24/h3-6,8-9,11-12H,2,7,10,13H2,1H3,(H,25,28)(H,26,27)

InChI Key

QSNPHIMDFOGRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

3.750

Water Solubility, LogSw

-5.96

Polar Surface Area

45.804

Acid Dissociation Constant (pKa)

5.37

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

3261-0953 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3261-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0953?
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What is the minimum amount of 3261-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0953
  • 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 3261-0953 available by request