3947-1828 Screening compound: ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

3947-1828 Screening compound: ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
3947-1828 Screening compound: ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3947-1828
ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-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

3947-1828

Molecular Formula

C21H19NO4S (C21 H19 NO4 S)

Compound Name

ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-(phenylamino)-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2ccccc2)S/C1=C\c(cccc1)c1OC)=O

InChI

InChI=1S/C21H19NO4S/c1-3-26-21(24)18-19(23)17(13-14-9-7-8-12-16(14)25-2)27-20(18)22-15-10-5-4-6-11-15/h4-13,22H,3H2,1-2H3

InChI Key

LPFHVDXMPUFUHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.58

Polar Surface Area

49.748

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3947-1828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3947-1828?
Check Price and Availability of 3947-1828, 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 3947-1828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3947-1828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3947-1828
  • 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 3947-1828 available by request