4410-3724 Screening compound: 4-[(4Z)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

4410-3724 Screening compound: 4-[(4Z)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
4410-3724 Screening compound: 4-[(4Z)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-3724
4-[(4Z)-4-[(furan-2-yl)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

4410-3724

Molecular Formula

C16H12N2O4 (C16 H12 N2 O4)

Compound Name

4-[(4Z)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid

IUPAC name

4-[(4Z)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoic acid

SMILES

CC(/C(/C1=O)=C/c2ccco2)=NN1c(cc1)ccc1C(O)=O

InChI

InChI=1S/C16H12N2O4/c1-10-14(9-13-3-2-8-22-13)15(19)18(17-10)12-6-4-11(5-7-12)16(20)21/h2-9H,1H3,(H,20,21)

InChI Key

MVPIRFIRHBPBTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

0.177

Water Solubility, LogSw

-2.63

Polar Surface Area

61.744

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4410-3724 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4410-3724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-3724?
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What is the minimum amount of 4410-3724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-3724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-3724
  • 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 4410-3724 available by request