4257-4172 Screening compound: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4257-4172 Screening compound: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4257-4172 Screening compound: methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-4172
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)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

4257-4172

Molecular Formula

C24H24FNO5 (C24 H24 FNO5)

Compound Name

methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-1-[2-(34-dimethoxyphenyl)ethyl]-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxo-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(CCc(cc1)cc(OC)c1OC)C1=O)=C(C(OC)=O)/C1=C/c(cc1)ccc1F

InChI

InChI=1S/C24H24FNO5/c1-15-22(24(28)31-4)19(13-16-5-8-18(25)9-6-16)23(27)26(15)12-11-17-7-10-20(29-2)21(14-17)30-3/h5-10,13-14H,11-12H2,1-4H3

InChI Key

MJCSPYYTLQVYPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.58

Polar Surface Area

52.350

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4257-4172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-4172?
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What is the minimum amount of 4257-4172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-4172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-4172
  • 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 4257-4172 available by request