3759-1354 Screening compound: N-benzyl-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

3759-1354 Screening compound: N-benzyl-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
3759-1354 Screening compound: N-benzyl-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3759-1354
N-benzyl-2-(3-methylbenzamido)-4H,5H,6H-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

3759-1354

Molecular Formula

C23H22N2O2S (C23 H22 N2 O2 S)

Compound Name

N-benzyl-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

N-benzyl-2-(3-methylbenzamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

Cc1cccc(C(Nc2c(C(NCc3ccccc3)=O)c(CCC3)c3s2)=O)c1

InChI

InChI=1S/C23H22N2O2S/c1-15-7-5-10-17(13-15)21(26)25-23-20(18-11-6-12-19(18)28-23)22(27)24-14-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,24,27)(H,25,26)

InChI Key

XELZBHHSUVMGLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.51

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

4.542

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-4.59

Polar Surface Area

47.824

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3759-1354 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 3759-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3759-1354?
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What is the minimum amount of 3759-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3759-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3759-1354
  • 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 3759-1354 available by request