J102-0141 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide

J102-0141 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide
J102-0141 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0141
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide

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

J102-0141

Molecular Formula

C17H19N3O2 (C17 H19 N3 O2)

Compound Name

2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide

IUPAC name

2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}-N-phenylacetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)Nc1ccccc1

InChI

InChI=1S/C17H19N3O2/c21-16(18-14-8-4-2-5-9-14)12-20-17(22)11-13-7-3-1-6-10-15(13)19-20/h2,4-5,8-9,11H,1,3,6-7,10,12H2,(H,18,21)

InChI Key

AWUSSGYUVPDVGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27963269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.436

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.80

Polar Surface Area

51.713

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

J102-0141 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J102-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0141?
Check Price and Availability of J102-0141, 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 J102-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0141
  • 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 J102-0141 available by request