4482-3764 Screening compound: 3-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}benzoic acid

4482-3764 Screening compound: 3-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}benzoic acid
4482-3764 Screening compound: 3-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4482-3764
3-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]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

4482-3764

Molecular Formula

C18H14N2O3 (C18 H14 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(/C(/C1=O)=C\c2cc(C(O)=O)ccc2)=NN1c1ccccc1

InChI

InChI=1S/C18H14N2O3/c1-12-16(11-13-6-5-7-14(10-13)18(22)23)17(21)20(19-12)15-8-3-2-4-9-15/h2-11H,1H3,(H,22,23)

InChI Key

OURIATDFAPRTKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02950778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

0.205

Water Solubility, LogSw

-3.69

Polar Surface Area

53.995

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4482-3764 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4482-3764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4482-3764?
Check Price and Availability of 4482-3764, 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 4482-3764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4482-3764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4482-3764
  • 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 4482-3764 available by request