3453-1724 Screening compound: ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

3453-1724 Screening compound: ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate
3453-1724 Screening compound: ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1724
ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-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

3453-1724

Molecular Formula

C21H20N2O5S (C21 H20 N2 O5 S)

Compound Name

ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-acetyl-2-[(2E)-2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C(/C#N)=C/c(cc2)ccc2OC)=O)sc(C(C)=O)c1C)=O

InChI

InChI=1S/C21H20N2O5S/c1-5-28-21(26)17-12(2)18(13(3)24)29-20(17)23-19(25)15(11-22)10-14-6-8-16(27-4)9-7-14/h6-10H,5H2,1-4H3,(H,23,25)

InChI Key

WIPHHLZJEZNZFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

-1.946

Water Solubility, LogSw

-3.89

Polar Surface Area

82.304

Acid Dissociation Constant (pKa)

1.94

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

3453-1724 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 3453-1724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1724?
Check Price and Availability of 3453-1724, 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 3453-1724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1724
  • 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 3453-1724 available by request