5567-0009 Screening compound: methyl (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5567-0009 Screening compound: methyl (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5567-0009 Screening compound: methyl (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5567-0009
methyl (4Z)-4-{[4-(benzyloxy)phenyl]methylidene}-1-(2-methoxyethyl)-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

5567-0009

Molecular Formula

C24H25NO5 (C24 H25 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCOC)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C24H25NO5/c1-17-22(24(27)29-3)21(23(26)25(17)13-14-28-2)15-18-9-11-20(12-10-18)30-16-19-7-5-4-6-8-19/h4-12,15H,13-14,16H2,1-3H3

InChI Key

HXVWXMZNFNTZMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01121728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.43

Polar Surface Area

52.930

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5567-0009 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 5567-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5567-0009?
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What is the minimum amount of 5567-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5567-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5567-0009
  • 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 5567-0009 available by request