J102-0079 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

J102-0079 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(3,4,5-trimethoxyphenyl)acetamide
J102-0079 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0079
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(3,4,5-trimethoxyphenyl)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

J102-0079

Molecular Formula

C20H25N3O5 (C20 H25 N3 O5)

Compound Name

2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}-N-(345-trimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CN2N=C(CCCCC3)C3=CC2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H25N3O5/c1-26-16-10-14(11-17(27-2)20(16)28-3)21-18(24)12-23-19(25)9-13-7-5-4-6-8-15(13)22-23/h9-11H,4-8,12H2,1-3H3,(H,21,24)

InChI Key

LMTFFCFKDRRZNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18798060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-2.78

Polar Surface Area

74.691

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

J102-0079 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J102-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0079?
Check Price and Availability of J102-0079, 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 J102-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0079
  • 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 J102-0079 available by request