3584-0060 Screening compound: 4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl acetate

3584-0060 Screening compound: 4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl acetate
3584-0060 Screening compound: 4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0060
4-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}phenyl acetate

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

3584-0060

Molecular Formula

C19H16N2O3 (C19 H16 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc1ccc(/C=C(\C(C)=NN2c3ccccc3)/C2=O)cc1)=O

InChI

InChI=1S/C19H16N2O3/c1-13-18(12-15-8-10-17(11-9-15)24-14(2)22)19(23)21(20-13)16-6-4-3-5-7-16/h3-12H,1-2H3

InChI Key

BOFBRFGLVZDACG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01968588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.44

Polar Surface Area

46.338

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

3584-0060 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3584-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0060?
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What is the minimum amount of 3584-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0060
  • 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 3584-0060 available by request