4207-1291 Screening compound: ethyl (4Z)-2-methyl-5-oxo-1-phenyl-4-({4-[(phenylcarbamoyl)methoxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate

4207-1291 Screening compound: ethyl (4Z)-2-methyl-5-oxo-1-phenyl-4-({4-[(phenylcarbamoyl)methoxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
4207-1291 Screening compound: ethyl (4Z)-2-methyl-5-oxo-1-phenyl-4-({4-[(phenylcarbamoyl)methoxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4207-1291
ethyl (4Z)-2-methyl-5-oxo-1-phenyl-4-({4-[(phenylcarbamoyl)methoxy]phenyl}methylidene)-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

4207-1291

Molecular Formula

C29H26N2O5 (C29 H26 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(/C(/C1=O)=C/c(cc2)ccc2OCC(Nc2ccccc2)=O)=C(C)N1c1ccccc1)=O

InChI

InChI=1S/C29H26N2O5/c1-3-35-29(34)27-20(2)31(23-12-8-5-9-13-23)28(33)25(27)18-21-14-16-24(17-15-21)36-19-26(32)30-22-10-6-4-7-11-22/h4-18H,3,19H2,1-2H3,(H,30,32)

InChI Key

YGCHBIHJUBMWAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02629799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.494

Water Solubility, LogSw

-4.25

Polar Surface Area

66.456

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

4207-1291 in Drug Discovery

Included in Screening Libraries

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 4207-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4207-1291?
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What is the minimum amount of 4207-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4207-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4207-1291
  • 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 4207-1291 available by request