E859-0848 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine

E859-0848 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine
E859-0848 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-0848
1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine

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

E859-0848

Molecular Formula

C26H34N6O2 (C26 H34 N6 O2)

Compound Name

1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine

IUPAC name

1-[2-(4-methoxyphenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]-4-(4-methylpiperidine-1-carbonyl)piperidine

SMILES

CC(CC1)CCN1C(C(CC1)CCN1c1nnc(C)c2c(C)n(-c(cc3)ccc3OC)nc12)=O

InChI

InChI=1S/C26H34N6O2/c1-17-9-13-31(14-10-17)26(33)20-11-15-30(16-12-20)25-24-23(18(2)27-28-25)19(3)32(29-24)21-5-7-22(34-4)8-6-21/h5-8,17,20H,9-16H2,1-4H3

InChI Key

RJNJEWSDEPVGRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.516

Distribution Coefficient, logD

3.504

Water Solubility, LogSw

-3.70

Polar Surface Area

64.462

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

E859-0848 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E859-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-0848?
Check Price and Availability of E859-0848, 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 E859-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-0848
  • 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 E859-0848 available by request