3643-3301 Screening compound: 3,4-dimethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

3643-3301 Screening compound: 3,4-dimethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate
3643-3301 Screening compound: 3,4-dimethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3301
3,4-dimethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H,5H,6H-cyclopenta[b]thiophene-3,4-dicarboxylate

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

3643-3301

Molecular Formula

C21H18N2O5S (C21 H18 N2 O5 S)

Compound Name

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

IUPAC name

34-dimethyl 2-[(2E)-2-cyano-3-phenylprop-2-enamido]-4H5H6H-cyclopenta[b]thiophene-34-dicarboxylate

SMILES

COC(C(CC1)c2c1sc(NC(/C(/C#N)=C/c1ccccc1)=O)c2C(OC)=O)=O

InChI

InChI=1S/C21H18N2O5S/c1-27-20(25)14-8-9-15-16(14)17(21(26)28-2)19(29-15)23-18(24)13(11-22)10-12-6-4-3-5-7-12/h3-7,10,14H,8-9H2,1-2H3,(H,23,24)/t14-/m0/s1

InChI Key

ORZRKPHIBQSETJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02332854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.499

Distribution Coefficient, logD

-0.915

Water Solubility, LogSw

-4.06

Polar Surface Area

82.814

Acid Dissociation Constant (pKa)

2.99

Base Dissociation Constant (pKb)

-5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3643-3301 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Autophagy-Targeted Library (4564 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:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3643-3301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3301?
Check Price and Availability of 3643-3301, 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 3643-3301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3301
  • 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 3643-3301 available by request