C891-0036 Screening compound: 6-benzyl-2-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

C891-0036 Screening compound: 6-benzyl-2-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
C891-0036 Screening compound: 6-benzyl-2-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C891-0036
6-benzyl-2-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-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

C891-0036

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

6-benzyl-2-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-5,7-dimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

IUPAC name

6-benzyl-2-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-57-dimethyl-1H2H6H-pyrrolo[34-d]pyridazin-1-one

SMILES

Cc1c(C=NN(CC(N(CC2)CCC22OCCO2)=O)C2=O)c2c(C)n1Cc1ccccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-1.93

Polar Surface Area

60.757

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

C891-0036 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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
  • Pool

References: we are preparing a list of scientific research reports with C891-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C891-0036?
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What is the minimum amount of C891-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C891-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C891-0036
  • 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 C891-0036 available by request