V007-7205 Screening compound: ethyl (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V007-7205 Screening compound: ethyl (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V007-7205 Screening compound: ethyl (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-7205
ethyl (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)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

V007-7205

Molecular Formula

C22H19NO5S (C22 H19 NO5 S)

Compound Name

ethyl (5E)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-5-[(2H-13-benzodioxol-5-yl)methylidene]-2-[(2-methylphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2c(C)cccc2)S/C1=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C22H19NO5S/c1-3-26-22(25)19-20(24)18(11-14-8-9-16-17(10-14)28-12-27-16)29-21(19)23-15-7-5-4-6-13(15)2/h4-11,23H,3,12H2,1-2H3

InChI Key

PSFKOHQEOYBCLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.914

Water Solubility, LogSw

-4.60

Polar Surface Area

58.535

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V007-7205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-7205?
Check Price and Availability of V007-7205, 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 V007-7205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-7205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-7205
  • 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 V007-7205 available by request