4488-1490 Screening compound: N-(4-methoxyphenyl)-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

4488-1490 Screening compound: N-(4-methoxyphenyl)-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
4488-1490 Screening compound: N-(4-methoxyphenyl)-2-(3-methylbenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1490
N-(4-methoxyphenyl)-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

4488-1490

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(Nc2c(C(Nc(cc3)ccc3OC)=O)c(CCC3)c3s2)=O)c1

InChI

InChI=1S/C23H22N2O3S/c1-14-5-3-6-15(13-14)21(26)25-23-20(18-7-4-8-19(18)29-23)22(27)24-16-9-11-17(28-2)12-10-16/h3,5-6,9-13H,4,7-8H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

QAZKDEPUEZHBGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.985

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-4.83

Polar Surface Area

54.046

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4488-1490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4488-1490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1490?
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What is the minimum amount of 4488-1490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1490
  • 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 4488-1490 available by request