V017-9866 Screening compound: ethyl (5E)-5-[(2,5-dihydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V017-9866 Screening compound: ethyl (5E)-5-[(2,5-dihydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V017-9866 Screening compound: ethyl (5E)-5-[(2,5-dihydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9866
ethyl (5E)-5-[(2,5-dihydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)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

V017-9866

Molecular Formula

C21H19NO6S (C21 H19 NO6 S)

Compound Name

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

IUPAC name

ethyl (5E)-5-[(25-dihydroxyphenyl)methylidene]-2-[(4-methoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OC)S/C1=C/c(cc(cc1)O)c1O)=O

InChI

InChI=1S/C21H19NO6S/c1-3-28-21(26)18-19(25)17(11-12-10-14(23)6-9-16(12)24)29-20(18)22-13-4-7-15(27-2)8-5-13/h4-11,22-24H,3H2,1-2H3

InChI Key

DIYXIDDJOINPBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880543

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-3.96

Polar Surface Area

83.826

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V017-9866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9866?
Check Price and Availability of V017-9866, 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 V017-9866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9866
  • 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 V017-9866 available by request