V014-7811 Screening compound: ethyl (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V014-7811 Screening compound: ethyl (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V014-7811 Screening compound: ethyl (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-7811
ethyl (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-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

V014-7811

Molecular Formula

C22H21NO6S (C22 H21 NO6 S)

Compound Name

ethyl (5E)-5-[(3,4-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-5-[(34-dihydroxyphenyl)methylidene]-2-[(4-ethoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OCC)S/C1=C/c(cc1)cc(O)c1O)=O

InChI

InChI=1S/C22H21NO6S/c1-3-28-15-8-6-14(7-9-15)23-21-19(22(27)29-4-2)20(26)18(30-21)12-13-5-10-16(24)17(25)11-13/h5-12,23-25H,3-4H2,1-2H3

InChI Key

PQDQTPMBZCFHHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880869

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-3.89

Polar Surface Area

82.337

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V014-7811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-7811?
Check Price and Availability of V014-7811, 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 V014-7811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-7811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-7811
  • 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 V014-7811 available by request