E854-6558 Screening compound: 3,4-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

E854-6558 Screening compound: 3,4-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
E854-6558 Screening compound: 3,4-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-6558
3,4-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

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

E854-6558

Molecular Formula

C24H31N5O2 (C24 H31 N5 O2)

Compound Name

3,4-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

IUPAC name

34-dimethyl-2-(4-methylphenyl)-6-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2H6H7H-pyrazolo[34-d]pyridazin-7-one

SMILES

CC(CC1)CCN1C(CCCN1N=C(C)c2c(C)n(-c3ccc(C)cc3)nc2C1=O)=O

InChI

InChI=1S/C24H31N5O2/c1-16-7-9-20(10-8-16)29-19(4)22-18(3)25-28(24(31)23(22)26-29)13-5-6-21(30)27-14-11-17(2)12-15-27/h7-10,17H,5-6,11-15H2,1-4H3

InChI Key

QYQGQCRUZHCKFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.24

Polar Surface Area

57.713

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E854-6558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E854-6558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-6558?
Check Price and Availability of E854-6558, 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 E854-6558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-6558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-6558
  • 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 E854-6558 available by request