E859-1161 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

E859-1161 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
E859-1161 Screening compound: 1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-1161
1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

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

E859-1161

Molecular Formula

C28H32N6O2 (C28 H32 N6 O2)

Compound Name

1-[2-(4-methoxyphenyl)-3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

IUPAC name

1-[2-(4-methoxyphenyl)-34-dimethyl-2H-pyrazolo[34-d]pyridazin-7-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

SMILES

Cc(n(-c(cc1)ccc1OC)nc12)c2c(C)nnc1N(CCC1)CC1C(NCCc1ccccc1)=O

InChI

InChI=1S/C28H32N6O2/c1-19-25-20(2)34(23-11-13-24(36-3)14-12-23)32-26(25)27(31-30-19)33-17-7-10-22(18-33)28(35)29-16-15-21-8-5-4-6-9-21/h4-6,8-9,11-14,22H,7,10,15-18H2,1-3H3,(H,29,35)/t22-/m0/s1

InChI Key

CAVSLACSOGBYKN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14923839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

3.273

Water Solubility, LogSw

-3.75

Polar Surface Area

72.002

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

E859-1161 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with E859-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-1161?
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What is the minimum amount of E859-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-1161
  • 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 E859-1161 available by request