4207-0121 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

4207-0121 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
4207-0121 Screening compound: methyl (4Z)-1-(4-fluorophenyl)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4207-0121
methyl (4Z)-1-(4-fluorophenyl)-2-methyl-4-[(3-methylthiophen-2-yl)methylidene]-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

4207-0121

Molecular Formula

C19H16FNO3S (C19 H16 FNO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(/C=C(/C(C(OC)=O)=C(C)N2c(cc3)ccc3F)\C2=O)scc1

InChI

InChI=1S/C19H16FNO3S/c1-11-8-9-25-16(11)10-15-17(19(23)24-3)12(2)21(18(15)22)14-6-4-13(20)5-7-14/h4-10H,1-3H3

InChI Key

VVZUFPSBCFUPTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02228776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.71

Polar Surface Area

37.517

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 4207-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4207-0121?
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What is the minimum amount of 4207-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4207-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4207-0121
  • 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 4207-0121 available by request