5784-0381 Screening compound: 4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid

5784-0381 Screening compound: 4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid
5784-0381 Screening compound: 4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5784-0381
4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid

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

5784-0381

Molecular Formula

C27H24N2O4 (C27 H24 N2 O4)

Compound Name

4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

4-[(4-{[(4E)-5-oxo-1-phenyl-3-propyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

CCCC(/C(/C1=O)=C\c(cc2)ccc2OCc(cc2)ccc2C(O)=O)=NN1c1ccccc1

InChI

InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-5,7-17H,2,6,18H2,1H3,(H,31,32)

InChI Key

JQFHVIXDOTUIRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.633

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-5.53

Polar Surface Area

61.953

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

5784-0381 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5784-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5784-0381?
Check Price and Availability of 5784-0381, 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 5784-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5784-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5784-0381
  • 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 5784-0381 available by request