4191-4032 Screening compound: methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4191-4032 Screening compound: methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4191-4032 Screening compound: methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-4032
methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-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

4191-4032

Molecular Formula

C16H17NO4 (C16 H17 NO4)

Compound Name

methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (5E)-5-[(4-ethoxyphenyl)methylidene]-2-methyl-4-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCOc1ccc(/C=C2/NC(C)=C(C(OC)=O)C2=O)cc1

InChI

InChI=1S/C16H17NO4/c1-4-21-12-7-5-11(6-8-12)9-13-15(18)14(10(2)17-13)16(19)20-3/h5-9,17H,4H2,1-3H3

InChI Key

TUDOOXPCVCIDQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01987807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-3.09

Polar Surface Area

52.608

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4191-4032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-4032?
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What is the minimum amount of 4191-4032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-4032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-4032
  • 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 4191-4032 available by request