8006-6905 Screening compound: ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8006-6905 Screening compound: ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8006-6905 Screening compound: ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6905
ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-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

8006-6905

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

ethyl (4Z)-4-[(2-methoxyphenyl)methylidene]-2-methyl-5-oxo-1-(prop-2-en-1-yl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(/C1=C/c(cccc2)c2OC)=C(C)N(CC=C)C1=O)=O

InChI

InChI=1S/C19H21NO4/c1-5-11-20-13(3)17(19(22)24-6-2)15(18(20)21)12-14-9-7-8-10-16(14)23-4/h5,7-10,12H,1,6,11H2,2-4H3

InChI Key

RZFLKEFJMFZOOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00684431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.357

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.48

Polar Surface Area

44.571

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 8006-6905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6905?
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What is the minimum amount of 8006-6905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6905
  • 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 8006-6905 available by request