4257-4217 Screening compound: methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4257-4217 Screening compound: methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4257-4217 Screening compound: methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-4217
methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-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

4257-4217

Molecular Formula

C23H31NO6 (C23 H31 NO6)

Compound Name

methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-4-[(3-ethoxy-4-propoxyphenyl)methylidene]-1-(3-methoxypropyl)-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CCCOc(ccc(/C=C(/C(C(OC)=O)=C(C)N1CCCOC)\C1=O)c1)c1OCC

InChI

InChI=1S/C23H31NO6/c1-6-12-30-19-10-9-17(15-20(19)29-7-2)14-18-21(23(26)28-5)16(3)24(22(18)25)11-8-13-27-4/h9-10,14-15H,6-8,11-13H2,1-5H3

InChI Key

YSMTYSIUMBQDBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.204

Water Solubility, LogSw

-3.10

Polar Surface Area

60.417

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 4257-4217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-4217?
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What is the minimum amount of 4257-4217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-4217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-4217
  • 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 4257-4217 available by request