J102-0166 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

J102-0166 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one
J102-0166 Screening compound: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0166
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H,9H-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

J102-0166

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

IUPAC name

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-3-one

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C22H28N4O2/c27-21-15-19-9-5-2-6-10-20(19)23-26(21)17-22(28)25-13-11-24(12-14-25)16-18-7-3-1-4-8-18/h1,3-4,7-8,15H,2,5-6,9-14,16-17H2

InChI Key

TXQXPFLJUYDDTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22202100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.894

Distribution Coefficient, logD

1.878

Water Solubility, LogSw

-2.14

Polar Surface Area

48.497

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

J102-0166 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0166?
Check Price and Availability of J102-0166, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J102-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0166
  • 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 J102-0166 available by request