E859-1816 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

E859-1816 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide
E859-1816 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-1816
1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]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

E859-1816

Molecular Formula

C24H26N6OS (C24 H26 N6 OS)

Compound Name

1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

IUPAC name

1-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}-N-[(thiophen-2-yl)methyl]piperidine-3-carboxamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1N(CCC1)CC1C(NCc1cccs1)=O

InChI

InChI=1S/C24H26N6OS/c1-16-21-17(2)30(19-9-4-3-5-10-19)28-22(21)23(27-26-16)29-12-6-8-18(15-29)24(31)25-14-20-11-7-13-32-20/h3-5,7,9-11,13,18H,6,8,12,14-15H2,1-2H3,(H,25,31)/t18-/m0/s1

InChI Key

FVFVJXYBAQFWLS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14924012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.34

Polar Surface Area

65.635

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E859-1816 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E859-1816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-1816?
Check Price and Availability of E859-1816, 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 E859-1816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-1816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-1816
  • 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 E859-1816 available by request