5283-0196 Screening compound: methyl (4Z)-4-[(2-ethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

5283-0196 Screening compound: methyl (4Z)-4-[(2-ethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
5283-0196 Screening compound: methyl (4Z)-4-[(2-ethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5283-0196
methyl (4Z)-4-[(2-ethoxyphenyl)methylidene]-1-(2-fluorophenyl)-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

5283-0196

Molecular Formula

C22H20FNO4 (C22 H20 FNO4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(/C=C(/C(C(OC)=O)=C(C)N2c(cccc3)c3F)\C2=O)cccc1

InChI

InChI=1S/C22H20FNO4/c1-4-28-19-12-8-5-9-15(19)13-16-20(22(26)27-3)14(2)24(21(16)25)18-11-7-6-10-17(18)23/h5-13H,4H2,1-3H3

InChI Key

DPWRLOMTWHGLLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02954433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.887

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-4.07

Polar Surface Area

43.408

Acid Dissociation Constant (pKa)

26.31

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 5283-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5283-0196?
Check Price and Availability of 5283-0196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5283-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5283-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5283-0196
  • 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 5283-0196 available by request