F046-0246 Screening compound: N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

F046-0246 Screening compound: N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide
F046-0246 Screening compound: N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F046-0246
N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

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

F046-0246

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-1,6-dihydropyridazin-1-yl]acetamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-2-[6-oxo-3-(4-phenylpiperazin-1-yl)-16-dihydropyridazin-1-yl]acetamide

SMILES

CCOc1ccc(CNC(CN(C(C=C2)=O)N=C2N(CC2)CCN2c2ccccc2)=O)cc1

InChI

InChI=1S/C25H29N5O3/c1-2-33-22-10-8-20(9-11-22)18-26-24(31)19-30-25(32)13-12-23(27-30)29-16-14-28(15-17-29)21-6-4-3-5-7-21/h3-13H,2,14-19H2,1H3,(H,26,31)

InChI Key

XIHFSPDJCSDROC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-2.87

Polar Surface Area

66.979

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F046-0246 in Drug Discovery

Included in Screening Libraries

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 F046-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F046-0246?
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What is the minimum amount of F046-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F046-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F046-0246
  • 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 F046-0246 available by request