E860-2755 Screening compound: 2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)-N-[(3-fluorophenyl)methyl]acetamide

E860-2755 Screening compound: 2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)-N-[(3-fluorophenyl)methyl]acetamide
E860-2755 Screening compound: 2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)-N-[(3-fluorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E860-2755
2-({3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}sulfanyl)-N-[(3-fluorophenyl)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

E860-2755

Molecular Formula

C22H20FN5OS (C22 H20 FN5 OS)

Compound Name

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

IUPAC name

2-({34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}sulfanyl)-N-[(3-fluorophenyl)methyl]acetamide

SMILES

Cc(n(-c1ccccc1)nc12)c2c(C)nnc1SCC(NCc1cc(F)ccc1)=O

InChI

InChI=1S/C22H20FN5OS/c1-14-20-15(2)28(18-9-4-3-5-10-18)27-21(20)22(26-25-14)30-13-19(29)24-12-16-7-6-8-17(23)11-16/h3-11H,12-13H2,1-2H3,(H,24,29)

InChI Key

ADSMEZQTRSXKTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.65

Polar Surface Area

61.216

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E860-2755 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 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:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E860-2755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E860-2755?
Check Price and Availability of E860-2755, 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 E860-2755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E860-2755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E860-2755
  • 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 E860-2755 available by request