E854-5002 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide

E854-5002 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide
E854-5002 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-5002
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide

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

E854-5002

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide

IUPAC name

2-[34-dimethyl-2-(4-methylphenyl)-7-oxo-2H6H7H-pyrazolo[34-d]pyridazin-6-yl]-N-[2-(4-methylphenyl)ethyl]propanamide

SMILES

CC(C(NCCc1ccc(C)cc1)=O)N1N=C(C)c2c(C)n(-c3ccc(C)cc3)nc2C1=O

InChI

InChI=1S/C26H29N5O2/c1-16-6-10-21(11-7-16)14-15-27-25(32)20(5)31-26(33)24-23(18(3)28-31)19(4)30(29-24)22-12-8-17(2)9-13-22/h6-13,20H,14-15H2,1-5H3,(H,27,32)/t20-/m0/s1

InChI Key

PZNAHDGHKWBPPI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14923107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.795

Water Solubility, LogSw

-4.20

Polar Surface Area

64.402

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

E854-5002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E854-5002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-5002?
Check Price and Availability of E854-5002, 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 E854-5002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-5002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-5002
  • 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 E854-5002 available by request