E860-2812 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)acetamide

E860-2812 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)acetamide
E860-2812 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E860-2812
N-[(2,4-dimethoxyphenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)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

E860-2812

Molecular Formula

C24H25N5O3S (C24 H25 N5 O3 S)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)acetamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-2-({34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}sulfanyl)acetamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1SCC(NCc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C24H25N5O3S/c1-15-22-16(2)29(18-8-6-5-7-9-18)28-23(22)24(27-26-15)33-14-21(30)25-13-17-10-11-19(31-3)12-20(17)32-4/h5-12H,13-14H2,1-4H3,(H,25,30)

InChI Key

ICWJGXLIZQGWPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.287

Distribution Coefficient, logD

3.287

Water Solubility, LogSw

-3.83

Polar Surface Area

76.390

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E860-2812 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E860-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E860-2812?
Check Price and Availability of E860-2812, 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 E860-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E860-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E860-2812
  • 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 E860-2812 available by request