E859-0359 Screening compound: 8-{1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

E859-0359 Screening compound: 8-{1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
E859-0359 Screening compound: 8-{1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-0359
8-{1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

E859-0359

Molecular Formula

C27H34N6O3 (C27 H34 N6 O3)

Compound Name

8-{1-[3,4-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]piperidine-4-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{1-[34-dimethyl-2-(4-methylphenyl)-2H-pyrazolo[34-d]pyridazin-7-yl]piperidine-4-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc(n(-c1ccc(C)cc1)nc12)c2c(C)nnc1N(CC1)CCC1C(N(CC1)CCC11OCCO1)=O

InChI

InChI=1S/C27H34N6O3/c1-18-4-6-22(7-5-18)33-20(3)23-19(2)28-29-25(24(23)30-33)31-12-8-21(9-13-31)26(34)32-14-10-27(11-15-32)35-16-17-36-27/h4-7,21H,8-17H2,1-3H3

InChI Key

ZBNPTBLYGCGBSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.689

Distribution Coefficient, logD

2.677

Water Solubility, LogSw

-2.80

Polar Surface Area

71.355

Acid Dissociation Constant (pKa)

22.16

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E859-0359 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E859-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-0359?
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What is the minimum amount of E859-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-0359
  • 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 E859-0359 available by request