F046-0048 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamide

F046-0048 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamide
F046-0048 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F046-0048
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-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

F046-0048

Molecular Formula

C24H25N5O5 (C24 H25 N5 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-16-dihydropyridazin-1-yl}acetamide

SMILES

COc(cccc1)c1N(CC1)CCN1C(C=C1)=NN(CC(Nc(cc2)cc3c2OCO3)=O)C1=O

InChI

InChI=1S/C24H25N5O5/c1-32-19-5-3-2-4-18(19)27-10-12-28(13-11-27)22-8-9-24(31)29(26-22)15-23(30)25-17-6-7-20-21(14-17)34-16-33-20/h2-9,14H,10-13,15-16H2,1H3,(H,25,30)

InChI Key

YBHLLRUKOWDRIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27096426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.612

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.17

Polar Surface Area

82.979

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F046-0048 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F046-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F046-0048?
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What is the minimum amount of F046-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F046-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F046-0048
  • 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 F046-0048 available by request