Y041-5666 Screening compound: 2-[(4-benzylpiperidino)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one

Y041-5666 Screening compound: 2-[(4-benzylpiperidino)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Y041-5666 Screening compound: 2-[(4-benzylpiperidino)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5666
2-[(4-benzylpiperidino)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-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

Y041-5666

Molecular Formula

C22H29N3O (C22 H29 N3 O)

Compound Name

2-[(4-benzylpiperidino)methyl]-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one

IUPAC name

2-[(4-benzylpiperidin-1-yl)methyl]-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-3-one

SMILES

O=C1N(CN2CCC(Cc3ccccc3)CC2)N=C(CCCCC2)C2=C1

InChI

InChI=1S/C22H29N3O/c26-22-16-20-9-5-2-6-10-21(20)23-25(22)17-24-13-11-19(12-14-24)15-18-7-3-1-4-8-18/h1,3-4,7-8,16,19H,2,5-6,9-15,17H2

InChI Key

GNWOQHVBMJFDLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22203670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-4.36

Polar Surface Area

33.719

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

Y041-5666 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-5666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5666?
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What is the minimum amount of Y041-5666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5666
  • 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 Y041-5666 available by request