5567-0121 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

5567-0121 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
5567-0121 Screening compound: methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5567-0121
methyl (4Z)-4-{[4-(methoxycarbonyl)phenyl]methylidene}-2-methyl-5-oxo-1-(2-phenylethyl)-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

5567-0121

Molecular Formula

C24H23NO5 (C24 H23 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCc1ccccc1)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C24H23NO5/c1-16-21(24(28)30-3)20(15-18-9-11-19(12-10-18)23(27)29-2)22(26)25(16)14-13-17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3

InChI Key

IGXPCQIUYWTDAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03710874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.28

Polar Surface Area

58.263

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 5567-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5567-0121?
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What is the minimum amount of 5567-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5567-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5567-0121
  • 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 5567-0121 available by request