J102-0014 Screening compound: 1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidine-4-carboxylic acid

J102-0014 Screening compound: 1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidine-4-carboxylic acid
J102-0014 Screening compound: 1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J102-0014
1-(2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidine-4-carboxylic acid

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

J102-0014

Molecular Formula

C17H23N3O4 (C17 H23 N3 O4)

Compound Name

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

IUPAC name

1-(2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetyl)piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1C(CN1N=C(CCCCC2)C2=CC1=O)=O)=O

InChI

InChI=1S/C17H23N3O4/c21-15-10-13-4-2-1-3-5-14(13)18-20(15)11-16(22)19-8-6-12(7-9-19)17(23)24/h10,12H,1-9,11H2,(H,23,24)

InChI Key

DNLXFWOEAXBTHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18068334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.069

Distribution Coefficient, logD

-2.484

Water Solubility, LogSw

-0.47

Polar Surface Area

73.365

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

J102-0014 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with J102-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J102-0014?
Check Price and Availability of J102-0014, 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 J102-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J102-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J102-0014
  • 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 J102-0014 available by request