5596-0564 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate

5596-0564 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
5596-0564 Screening compound: ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0564
ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-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

5596-0564

Molecular Formula

C20H23NO4S (C20 H23 NO4 S)

Compound Name

ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-(4-ethoxyphenyl)prop-2-enamido]-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c(cc2)ccc2OCC)=O)sc(C)c1C)=O

InChI

InChI=1S/C20H23NO4S/c1-5-24-16-10-7-15(8-11-16)9-12-17(22)21-19-18(20(23)25-6-2)13(3)14(4)26-19/h7-12H,5-6H2,1-4H3,(H,21,22)

InChI Key

AJYWOBFFJNUVJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02359434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.47

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

4.835

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-4.69

Polar Surface Area

50.788

Acid Dissociation Constant (pKa)

5.19

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

5596-0564 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 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

References: we are preparing a list of scientific research reports with 5596-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0564?
Check Price and Availability of 5596-0564, 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 5596-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0564
  • 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 5596-0564 available by request