0833-0439 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

0833-0439 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
0833-0439 Screening compound: (4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0439
(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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

0833-0439

Molecular Formula

C17H13ClN2O (C17 H13 ClN2 O)

Compound Name

(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-[(4-chlorophenyl)methylidene]-3-methyl-1-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/c(cc2)ccc2Cl)=NN1c1ccccc1

InChI

InChI=1S/C17H13ClN2O/c1-12-16(11-13-7-9-14(18)10-8-13)17(21)20(19-12)15-5-3-2-4-6-15/h2-11H,1H3

InChI Key

BGJYICFWALJLBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.70

Polar Surface Area

25.587

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0833-0439 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 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 0833-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0439?
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What is the minimum amount of 0833-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0439
  • 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 0833-0439 available by request