3772-4083 Screening compound: ethyl 2-(4-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

3772-4083 Screening compound: ethyl 2-(4-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
3772-4083 Screening compound: ethyl 2-(4-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-4083
ethyl 2-(4-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[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

3772-4083

Molecular Formula

C20H23NO4S (C20 H23 NO4 S)

Compound Name

ethyl 2-(4-methoxybenzamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(4-methoxybenzamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2OC)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C20H23NO4S/c1-3-25-20(23)17-15-7-5-4-6-8-16(15)26-19(17)21-18(22)13-9-11-14(24-2)12-10-13/h9-12H,3-8H2,1-2H3,(H,21,22)

InChI Key

YDJBOMLTXNLGNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02242872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.618

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-4.49

Polar Surface Area

51.673

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3772-4083 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3772-4083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-4083?
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What is the minimum amount of 3772-4083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-4083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-4083
  • 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 3772-4083 available by request