J102-0130 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(prop-2-en-1-yl)acetamide

J102-0130 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(prop-2-en-1-yl)acetamide
J102-0130 Screening compound: 2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0130
2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}-N-(prop-2-en-1-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

J102-0130

Molecular Formula

C14H19N3O2 (C14 H19 N3 O2)

Compound Name

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

IUPAC name

2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}-N-(prop-2-en-1-yl)acetamide

SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-2-8-15-13(18)10-17-14(19)9-11-6-4-3-5-7-12(11)16-17/h2,9H,1,3-8,10H2,(H,15,18)

InChI Key

CESKEJDYHQUCQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.940

Distribution Coefficient, logD

0.940

Water Solubility, LogSw

-1.54

Polar Surface Area

53.148

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

J102-0130 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J102-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0130?
Check Price and Availability of J102-0130, 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 J102-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0130
  • 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 J102-0130 available by request