4031-2802 Screening compound: methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-2802 Screening compound: methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-2802 Screening compound: methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2802
methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-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

4031-2802

Molecular Formula

C29H26N2O6 (C29 H26 N2 O6)

Compound Name

methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (5Z)-5-[(4-{[(2-methoxyphenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-4-oxo-1-phenyl-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(/C1=C\c(cc2)ccc2OCC(Nc(cccc2)c2OC)=O)c2ccccc2)=C(C(OC)=O)C1=O

InChI

InChI=1S/C29H26N2O6/c1-19-27(29(34)36-3)28(33)24(31(19)21-9-5-4-6-10-21)17-20-13-15-22(16-14-20)37-18-26(32)30-23-11-7-8-12-25(23)35-2/h4-17H,18H2,1-3H3,(H,30,32)

InChI Key

AXICBJNKMNQTKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01987204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.203

Water Solubility, LogSw

-4.38

Polar Surface Area

72.721

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 4031-2802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2802?
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What is the minimum amount of 4031-2802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2802
  • 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 4031-2802 available by request