C322-0003 Screening compound: methyl 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

C322-0003 Screening compound: methyl 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
C322-0003 Screening compound: methyl 2-[(2E)-3-(4-methoxyphenyl)prop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C322-0003
methyl 2-[(2E)-3-(4-methoxyphenyl)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

C322-0003

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1c(NC(/C=C/c(cc2)ccc2OC)=O)sc2c1CCC2)=O

InChI

InChI=1S/C19H19NO4S/c1-23-13-9-6-12(7-10-13)8-11-16(21)20-18-17(19(22)24-2)14-4-3-5-15(14)25-18/h6-11H,3-5H2,1-2H3,(H,20,21)

InChI Key

QREFLTWXDHOILR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

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

4.114

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-4.47

Polar Surface Area

51.915

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C322-0003 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C322-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C322-0003?
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What is the minimum amount of C322-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C322-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C322-0003
  • 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 C322-0003 available by request