J102-0102 Screening compound: 2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one

J102-0102 Screening compound: 2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one
J102-0102 Screening compound: 2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0102
2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-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

J102-0102

Molecular Formula

C22H27N3O2 (C22 H27 N3 O2)

Compound Name

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

IUPAC name

2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-3-one

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)N(CC1)CCC1c1ccccc1

InChI

InChI=1S/C22H27N3O2/c26-21-15-19-9-5-2-6-10-20(19)23-25(21)16-22(27)24-13-11-18(12-14-24)17-7-3-1-4-8-17/h1,3-4,7-8,15,18H,2,5-6,9-14,16H2

InChI Key

NRMPBJQICBWSQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.33

Polar Surface Area

44.685

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

J102-0102 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0102?
Check Price and Availability of J102-0102, 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 J102-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0102
  • 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 J102-0102 available by request