F046-0146 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-2,3-dihydropyridazin-3-one

F046-0146 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-2,3-dihydropyridazin-3-one
F046-0146 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F046-0146
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-2,3-dihydropyridazin-3-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

F046-0146

Molecular Formula

C22H29N5O2 (C22 H29 N5 O2)

Compound Name

2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-2,3-dihydropyridazin-3-one

IUPAC name

2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-phenylpiperazin-1-yl)-23-dihydropyridazin-3-one

SMILES

O=C(CN(C(C=C1)=O)N=C1N(CC1)CCN1c1ccccc1)N1CCCCCC1

InChI

InChI=1S/C22H29N5O2/c28-21-11-10-20(23-27(21)18-22(29)26-12-6-1-2-7-13-26)25-16-14-24(15-17-25)19-8-4-3-5-9-19/h3-5,8-11H,1-2,6-7,12-18H2

InChI Key

RSPYAYYGPRPYOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.224

Distribution Coefficient, logD

2.224

Water Solubility, LogSw

-2.40

Polar Surface Area

52.108

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F046-0146 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F046-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F046-0146?
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What is the minimum amount of F046-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F046-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F046-0146
  • 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 F046-0146 available by request