4207-1589 Screening compound: methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

4207-1589 Screening compound: methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate
4207-1589 Screening compound: methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4207-1589
methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-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

4207-1589

Molecular Formula

C28H23FN2O5 (C28 H23 FN2 O5)

Compound Name

methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl (4Z)-4-[(4-{[(4-fluorophenyl)carbamoyl]methoxy}phenyl)methylidene]-2-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(N(C1=O)c2ccccc2)=C(C(OC)=O)/C1=C/c(cc1)ccc1OCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C28H23FN2O5/c1-18-26(28(34)35-2)24(27(33)31(18)22-6-4-3-5-7-22)16-19-8-14-23(15-9-19)36-17-25(32)30-21-12-10-20(29)11-13-21/h3-16H,17H2,1-2H3,(H,30,32)

InChI Key

VUTKIPBAXXBPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.31

Polar Surface Area

66.876

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

4207-1589 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4207-1589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4207-1589?
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What is the minimum amount of 4207-1589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4207-1589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4207-1589
  • 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 4207-1589 available by request