4031-2908 Screening compound: ethyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2908 Screening compound: ethyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2908 Screening compound: ethyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2908
ethyl (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-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

4031-2908

Molecular Formula

C21H27NO5 (C21 H27 NO5)

Compound Name

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

IUPAC name

ethyl (4Z)-4-[(34-dimethoxyphenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOC(C(/C1=C/c(cc2)cc(OC)c2OC)=C(C)N(CC(C)C)C1=O)=O

InChI

InChI=1S/C21H27NO5/c1-7-27-21(24)19-14(4)22(12-13(2)3)20(23)16(19)10-15-8-9-17(25-5)18(11-15)26-6/h8-11,13H,7,12H2,1-6H3

InChI Key

PRGBGBDPSXQCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02623653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.656

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-3.79

Polar Surface Area

52.223

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4031-2908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2908?
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What is the minimum amount of 4031-2908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2908
  • 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 4031-2908 available by request