V022-8503 Screening compound: ethyl (5E)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V022-8503 Screening compound: ethyl (5E)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V022-8503 Screening compound: ethyl (5E)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8503
ethyl (5E)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)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

V022-8503

Molecular Formula

C22H20N2O8S (C22 H20 N2 O8 S)

Compound Name

ethyl (5E)-5-[(3-hydroxy-4,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-5-[(3-hydroxy-45-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2[N+]([O-])=O)S/C1=C/c(cc1O)cc(OC)c1OC)=O

InChI

InChI=1S/C22H20N2O8S/c1-4-32-22(27)18-19(26)17(11-12-9-15(25)20(31-3)16(10-12)30-2)33-21(18)23-13-5-7-14(8-6-13)24(28)29/h5-11,23,25H,4H2,1-3H3

InChI Key

RXSCONUOJXNVJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880692

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

2.832

Water Solubility, LogSw

-4.05

Polar Surface Area

107.394

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

-4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V022-8503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8503?
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What is the minimum amount of V022-8503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8503
  • 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 V022-8503 available by request