E859-0078 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

E859-0078 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
E859-0078 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-0078
1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-[2-(4-methylphenyl)ethyl]piperidine-4-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

E859-0078

Molecular Formula

C28H32N6O (C28 H32 N6 O)

Compound Name

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

IUPAC name

1-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1N(CC1)CCC1C(NCCc1ccc(C)cc1)=O

InChI

InChI=1S/C28H32N6O/c1-19-9-11-22(12-10-19)13-16-29-28(35)23-14-17-33(18-15-23)27-26-25(20(2)30-31-27)21(3)34(32-26)24-7-5-4-6-8-24/h4-12,23H,13-18H2,1-3H3,(H,29,35)

InChI Key

LRRFTJQADKBLJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.765

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.07

Polar Surface Area

64.525

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E859-0078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E859-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-0078?
Check Price and Availability of E859-0078, 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 E859-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-0078
  • 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 E859-0078 available by request