4357-3481 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

4357-3481 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4357-3481 Screening compound: 4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-3481
4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]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

4357-3481

Molecular Formula

C25H20N2O4 (C25 H20 N2 O4)

Compound Name

4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

4-[(4E)-4-{[4-(benzyloxy)phenyl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

CC(/C(/C1=O)=C\c(cc2)ccc2OCc2ccccc2)=NN1c(cc1)ccc1C(O)=O

InChI

InChI=1S/C25H20N2O4/c1-17-23(24(28)27(26-17)21-11-9-20(10-12-21)25(29)30)15-18-7-13-22(14-8-18)31-16-19-5-3-2-4-6-19/h2-15H,16H2,1H3,(H,29,30)

InChI Key

ZMLOFZOUXDPPTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02907952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

2.455

Water Solubility, LogSw

-4.63

Polar Surface Area

61.223

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4357-3481 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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 4357-3481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-3481?
Check Price and Availability of 4357-3481, 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 4357-3481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-3481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-3481
  • 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 4357-3481 available by request