3643-3295 Screening compound: 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

3643-3295 Screening compound: 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide
3643-3295 Screening compound: 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3295
2-[(2E)-2-cyano-3-phenylprop-2-enamido]-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

3643-3295

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide

IUPAC name

2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxamide

SMILES

NC(c1c(NC(/C(/C#N)=C/c2ccccc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C18H15N3O2S/c19-10-12(9-11-5-2-1-3-6-11)17(23)21-18-15(16(20)22)13-7-4-8-14(13)24-18/h1-3,5-6,9H,4,7-8H2,(H2,20,22)(H,21,23)

InChI Key

PNVNLLQXFCBSLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.115

Distribution Coefficient, logD

-0.743

Water Solubility, LogSw

-2.81

Polar Surface Area

74.526

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

3643-3295 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3643-3295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3295?
Check Price and Availability of 3643-3295, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3643-3295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3295
  • 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 3643-3295 available by request