E854-3355 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide

E854-3355 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide
E854-3355 Screening compound: 2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-3355
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide

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

E854-3355

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

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

IUPAC name

2-[34-dimethyl-2-(4-methylphenyl)-7-oxo-2H6H7H-pyrazolo[34-d]pyridazin-6-yl]-N-[(thiophen-2-yl)methyl]acetamide

SMILES

Cc(n(-c1ccc(C)cc1)nc12)c2C(C)=NN(CC(NCc2cccs2)=O)C1=O

InChI

InChI=1S/C21H21N5O2S/c1-13-6-8-16(9-7-13)26-15(3)19-14(2)23-25(21(28)20(19)24-26)12-18(27)22-11-17-5-4-10-29-17/h4-10H,11-12H2,1-3H3,(H,22,27)

InChI Key

KHGMLKRBDFBWBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.29

Polar Surface Area

66.832

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E854-3355 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

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

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E854-3355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-3355?
Check Price and Availability of E854-3355, 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 E854-3355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-3355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-3355
  • 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 E854-3355 available by request