E591-0828 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

E591-0828 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one
E591-0828 Screening compound: 1-(3,5-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E591-0828
1-(3,5-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-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

E591-0828

Molecular Formula

C20H30N6O (C20 H30 N6 O)

Compound Name

1-(3,5-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propan-1-one

IUPAC name

1-(35-dimethylpiperidin-1-yl)-3-[6-(piperidin-1-yl)-[124]triazolo[43-b]pyridazin-3-yl]propan-1-one

SMILES

CC(CC(C)C1)CN1C(CCc1nnc(cc2)n1nc2N1CCCCC1)=O

InChI

InChI=1S/C20H30N6O/c1-15-12-16(2)14-25(13-15)20(27)9-8-18-22-21-17-6-7-19(23-26(17)18)24-10-4-3-5-11-24/h6-7,15-16H,3-5,8-14H2,1-2H3

InChI Key

YHOFRHDTNUZRFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901656

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-2.78

Polar Surface Area

52.548

Acid Dissociation Constant (pKa)

23.36

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.00

E591-0828 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E591-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E591-0828?
Check Price and Availability of E591-0828, 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 E591-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E591-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E591-0828
  • 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 E591-0828 available by request