8010-2179 Screening compound: N-{3-[(3-methylphenyl)carbamoyl]-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiophene-2-carboxamide

8010-2179 Screening compound: N-{3-[(3-methylphenyl)carbamoyl]-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiophene-2-carboxamide
8010-2179 Screening compound: N-{3-[(3-methylphenyl)carbamoyl]-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2179
N-{3-[(3-methylphenyl)carbamoyl]-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiophene-2-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

8010-2179

Molecular Formula

C20H18N2O2S2 (C20 H18 N2 O2 S2)

Compound Name

N-{3-[(3-methylphenyl)carbamoyl]-4H,5H,6H-cyclopenta[b]thiophen-2-yl}thiophene-2-carboxamide

IUPAC name

N-{3-[(3-methylphenyl)carbamoyl]-4H5H6H-cyclopenta[b]thiophen-2-yl}thiophene-2-carboxamide

SMILES

Cc1cccc(NC(c2c(NC(c3cccs3)=O)sc3c2CCC3)=O)c1

InChI

InChI=1S/C20H18N2O2S2/c1-12-5-2-6-13(11-12)21-19(24)17-14-7-3-8-15(14)26-20(17)22-18(23)16-9-4-10-25-16/h2,4-6,9-11H,3,7-8H2,1H3,(H,21,24)(H,22,23)

InChI Key

JILSIAQCRPMWFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00782881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.76

Polar Surface Area

47.520

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-2179 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8010-2179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2179?
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What is the minimum amount of 8010-2179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2179
  • 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 8010-2179 available by request