4031-0386 Screening compound: methyl (4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4031-0386 Screening compound: methyl (4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4031-0386 Screening compound: methyl (4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,2-dimethyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0386
methyl (4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-1,2-dimethyl-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

4031-0386

Molecular Formula

C19H21NO5 (C19 H21 NO5)

Compound Name

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

IUPAC name

methyl (4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-12-dimethyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(C)C1=O)=C(C(OC)=O)/C1=C/c(cc1)cc(OC)c1OCC=C

InChI

InChI=1S/C19H21NO5/c1-6-9-25-15-8-7-13(11-16(15)23-4)10-14-17(19(22)24-5)12(2)20(3)18(14)21/h6-8,10-11H,1,9H2,2-5H3

InChI Key

LFWJXSWQPCYNDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.389

Distribution Coefficient, logD

2.389

Water Solubility, LogSw

-2.76

Polar Surface Area

52.282

Acid Dissociation Constant (pKa)

27.54

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4031-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0386?
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What is the minimum amount of 4031-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0386
  • 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 4031-0386 available by request