3992-0832 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3992-0832 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3992-0832 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3992-0832
ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[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

3992-0832

Molecular Formula

C21H23NO4S (C21 H23 NO4 S)

Compound Name

ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2)ccc2OCC)=O)sc2c1CCC2)=O

InChI

InChI=1S/C21H23NO4S/c1-3-25-15-11-8-14(9-12-15)10-13-18(23)22-20-19(21(24)26-4-2)16-6-5-7-17(16)27-20/h8-13H,3-7H2,1-2H3,(H,22,23)

InChI Key

JXJFPMRVCDNHGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02359424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

2.686

Water Solubility, LogSw

-4.66

Polar Surface Area

51.074

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3992-0832 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3992-0832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3992-0832?
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What is the minimum amount of 3992-0832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3992-0832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3992-0832
  • 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 3992-0832 available by request