J102-0139 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

J102-0139 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
J102-0139 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0139
N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-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

J102-0139

Molecular Formula

C18H19N3O4 (C18 H19 N3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H19N3O4/c22-17(19-13-6-7-15-16(9-13)25-11-24-15)10-21-18(23)8-12-4-2-1-3-5-14(12)20-21/h6-9H,1-5,10-11H2,(H,19,22)

InChI Key

XZFSXNVEGTZMGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19708500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-3.02

Polar Surface Area

68.829

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

J102-0139 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J102-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0139?
Check Price and Availability of J102-0139, 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 J102-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0139
  • 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 J102-0139 available by request