E859-1766 Screening compound: ethyl 3-(1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}piperidine-3-amido)benzoate

E859-1766 Screening compound: ethyl 3-(1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}piperidine-3-amido)benzoate
E859-1766 Screening compound: ethyl 3-(1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}piperidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-1766
ethyl 3-(1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}piperidine-3-amido)benzoate

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

E859-1766

Molecular Formula

C28H30N6O3 (C28 H30 N6 O3)

Compound Name

ethyl 3-(1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}piperidine-3-amido)benzoate

IUPAC name

ethyl 3-(1-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}piperidine-3-amido)benzoate

SMILES

CCOC(c1cc(NC(C(CCC2)CN2c2nnc(C)c3c(C)n(-c4ccccc4)nc23)=O)ccc1)=O

InChI

InChI=1S/C28H30N6O3/c1-4-37-28(36)20-10-8-12-22(16-20)29-27(35)21-11-9-15-33(17-21)26-25-24(18(2)30-31-26)19(3)34(32-25)23-13-6-5-7-14-23/h5-8,10,12-14,16,21H,4,9,11,15,17H2,1-3H3,(H,29,35)/t21-/m0/s1

InChI Key

BNPZSWUVIWXMLJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14923969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.107

Distribution Coefficient, logD

4.088

Water Solubility, LogSw

-4.35

Polar Surface Area

84.049

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

E859-1766 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E859-1766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-1766?
Check Price and Availability of E859-1766, 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 E859-1766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-1766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-1766
  • 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 E859-1766 available by request