1439-0078 Screening compound: 3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-4,5-dihydro-1H-pyrazol-5-one

1439-0078 Screening compound: 3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-4,5-dihydro-1H-pyrazol-5-one
1439-0078 Screening compound: 3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1439-0078
3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-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

1439-0078

Molecular Formula

C16H14N4O (C16 H14 N4 O)

Compound Name

3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

3-methyl-1-phenyl-4-[(1E)-2-phenyldiazen-1-yl]-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C(C1=O)/N=N/c2ccccc2)=NN1c1ccccc1

InChI

InChI=1S/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3/b18-17+/t15-/m0/s1

InChI Key

XCKGFJPFEHHHQA-HEWTWTGNSA-N

MDL Number (MFCD)

MFCD00068448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

1.447

Water Solubility, LogSw

-3.31

Polar Surface Area

49.181

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

1439-0078 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Frequent Hitters Library (7624 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1439-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1439-0078?
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What is the minimum amount of 1439-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1439-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1439-0078
  • 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 1439-0078 available by request