5283-0186 Screening compound: ethyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate

5283-0186 Screening compound: ethyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate
5283-0186 Screening compound: ethyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5283-0186
ethyl (4Z)-1-(2-methoxyethyl)-2-methyl-5-oxo-4-{[4-(prop-2-en-1-yloxy)phenyl]methylidene}-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

5283-0186

Molecular Formula

C21H25NO5 (C21 H25 NO5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(/C1=C/c(cc2)ccc2OCC=C)=C(C)N(CCOC)C1=O)=O

InChI

InChI=1S/C21H25NO5/c1-5-12-27-17-9-7-16(8-10-17)14-18-19(21(24)26-6-2)15(3)22(20(18)23)11-13-25-4/h5,7-10,14H,1,6,11-13H2,2-4H3

InChI Key

PFGQPLMTJCGRPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.170

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.08

Polar Surface Area

52.700

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 5283-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5283-0186?
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What is the minimum amount of 5283-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5283-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5283-0186
  • 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 5283-0186 available by request