E854-0275 Screening compound: 6-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

E854-0275 Screening compound: 6-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
E854-0275 Screening compound: 6-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E854-0275
6-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dimethyl-2-phenyl-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

E854-0275

Molecular Formula

C22H25N5O4 (C22 H25 N5 O4)

Compound Name

6-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dimethyl-2-phenyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one

IUPAC name

6-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-34-dimethyl-2-phenyl-2H6H7H-pyrazolo[34-d]pyridazin-7-one

SMILES

Cc(n(-c1ccccc1)nc12)c2C(C)=NN(CC(N(CC2)CCC22OCCO2)=O)C1=O

InChI

InChI=1S/C22H25N5O4/c1-15-19-16(2)27(17-6-4-3-5-7-17)24-20(19)21(29)26(23-15)14-18(28)25-10-8-22(9-11-25)30-12-13-31-22/h3-7H,8-14H2,1-2H3

InChI Key

KZEKZNDLHTYNET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14922750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.877

Distribution Coefficient, logD

0.877

Water Solubility, LogSw

-1.57

Polar Surface Area

72.172

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E854-0275 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • GPCR

References: we are preparing a list of scientific research reports with E854-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E854-0275?
Check Price and Availability of E854-0275, 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 E854-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E854-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E854-0275
  • 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 E854-0275 available by request