8016-5245 Screening compound: 4-bromo-5-(4-methylpiperazino)-2-phenyl-3(2H)-pyridazinone

8016-5245 Screening compound: 4-bromo-5-(4-methylpiperazino)-2-phenyl-3(2H)-pyridazinone
8016-5245 Screening compound: 4-bromo-5-(4-methylpiperazino)-2-phenyl-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5245
4-bromo-5-(4-methylpiperazino)-2-phenyl-3(2H)-pyridazinone

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

8016-5245

Molecular Formula

C15H17BrN4O (C15 H17 BrN4 O)

Compound Name

4-bromo-5-(4-methylpiperazino)-2-phenyl-3(2H)-pyridazinone

IUPAC name

4-bromo-5-(4-methylpiperazin-1-yl)-2-phenyl-23-dihydropyridazin-3-one

SMILES

CN(CC1)CCN1C(C=NN(c1ccccc1)C1=O)=C1Br

InChI

InChI=1S/C15H17BrN4O/c1-18-7-9-19(10-8-18)13-11-17-20(15(21)14(13)16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChI Key

CHLPBTYHUZCEQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01438519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.734

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-2.30

Polar Surface Area

34.464

Acid Dissociation Constant (pKa)

30.49

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8016-5245 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8016-5245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5245?
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What is the minimum amount of 8016-5245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5245
  • 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 8016-5245 available by request