V026-2989 Screening compound: methyl (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V026-2989 Screening compound: methyl (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V026-2989 Screening compound: methyl (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2989
methyl (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-[(3,4-dimethoxyphenyl)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

V026-2989

Molecular Formula

C23H21NO7S (C23 H21 NO7 S)

Compound Name

methyl (5E)-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-[(3,4-dimethoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

methyl (5E)-5-[(23-dihydro-14-benzodioxin-6-yl)methylidene]-2-[(34-dimethoxyphenyl)amino]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

COC(C(C1=O)=C(Nc(cc2)cc(OC)c2OC)S/C1=C/c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C23H21NO7S/c1-27-15-7-5-14(12-17(15)28-2)24-22-20(23(26)29-3)21(25)19(32-22)11-13-4-6-16-18(10-13)31-9-8-30-16/h4-7,10-12,24H,8-9H2,1-3H3

InChI Key

LVBHECRSYCNGPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880461

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.981

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-3.45

Polar Surface Area

73.621

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with V026-2989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2989?
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What is the minimum amount of V026-2989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2989
  • 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 V026-2989 available by request