J102-0232 Screening compound: methyl 2-[1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate

J102-0232 Screening compound: methyl 2-[1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate
J102-0232 Screening compound: methyl 2-[1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0232
methyl 2-[1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate

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

J102-0232

Molecular Formula

C19H27N3O4 (C19 H27 N3 O4)

Compound Name

methyl 2-[1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate

IUPAC name

methyl 2-[1-(2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidin-4-yl]acetate

SMILES

COC(CC(CC1)CCN1C(CN1N=C(CCCCC2)C2=CC1=O)=O)=O

InChI

InChI=1S/C19H27N3O4/c1-26-19(25)11-14-7-9-21(10-8-14)18(24)13-22-17(23)12-15-5-3-2-4-6-16(15)20-22/h12,14H,2-11,13H2,1H3

InChI Key

ZBDRGNCSIDCYDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22201928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.481

Distribution Coefficient, logD

1.481

Water Solubility, LogSw

-1.65

Polar Surface Area

65.535

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

J102-0232 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0232?
Check Price and Availability of J102-0232, 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 J102-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0232
  • 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 J102-0232 available by request