V022-9496 Screening compound: ethyl (5E)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V022-9496 Screening compound: ethyl (5E)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V022-9496 Screening compound: ethyl (5E)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[(4-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9496
ethyl (5E)-5-[(3,5-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

V022-9496

Molecular Formula

C22H20N2O7S (C22 H20 N2 O7 S)

Compound Name

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

IUPAC name

ethyl (5E)-5-[(35-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/c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C22H20N2O7S/c1-4-31-22(26)19-20(25)18(11-13-9-16(29-2)12-17(10-13)30-3)32-21(19)23-14-5-7-15(8-6-14)24(27)28/h5-12,23H,4H2,1-3H3

InChI Key

LBYJAHGZQXRVEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.63

Polar Surface Area

90.586

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 V022-9496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9496?
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What is the minimum amount of V022-9496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9496
  • 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 V022-9496 available by request