8008-4411 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

8008-4411 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
8008-4411 Screening compound: methyl (4Z)-1-(2-methoxyethyl)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4411
methyl (4Z)-1-(2-methoxyethyl)-4-[(4-methoxyphenyl)methylidene]-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

8008-4411

Molecular Formula

C18H21NO5 (C18 H21 NO5)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CCOC)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1OC

InChI

InChI=1S/C18H21NO5/c1-12-16(18(21)24-4)15(17(20)19(12)9-10-22-2)11-13-5-7-14(23-3)8-6-13/h5-8,11H,9-10H2,1-4H3

InChI Key

CJKRJHJICJFWRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01121721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

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

2.047

Distribution Coefficient, logD

2.047

Water Solubility, LogSw

-2.24

Polar Surface Area

53.247

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8008-4411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4411?
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What is the minimum amount of 8008-4411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4411
  • 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 8008-4411 available by request