8008-4579 Screening compound: ethyl (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

8008-4579 Screening compound: ethyl (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
8008-4579 Screening compound: ethyl (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4579
ethyl (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-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

8008-4579

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

ethyl (4Z)-4-[(2,3-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (4Z)-4-[(23-dimethoxyphenyl)methylidene]-2-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(/C(/C1=O)=C/c(cccc2OC)c2OC)=C(C)N1c1ccccc1)=O

InChI

InChI=1S/C23H23NO5/c1-5-29-23(26)20-15(2)24(17-11-7-6-8-12-17)22(25)18(20)14-16-10-9-13-19(27-3)21(16)28-4/h6-14H,5H2,1-4H3

InChI Key

AKTCLVNRCPNYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01121732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.571

Distribution Coefficient, logD

3.571

Water Solubility, LogSw

-3.53

Polar Surface Area

51.426

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 8008-4579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4579?
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What is the minimum amount of 8008-4579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4579
  • 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 8008-4579 available by request