G395-1234 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

G395-1234 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
G395-1234 Screening compound: 3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1234
3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

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

G395-1234

Molecular Formula

C23H28N6O4 (C23 H28 N6 O4)

Compound Name

3-(6-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

IUPAC name

3-(6-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-[124]triazolo[43-b]pyridazin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

SMILES

COc1ccc(CNC(CCc2nnc(cc3)n2nc3N(CC2)CCC22OCCO2)=O)cc1

InChI

InChI=1S/C23H28N6O4/c1-31-18-4-2-17(3-5-18)16-24-22(30)9-8-20-26-25-19-6-7-21(27-29(19)20)28-12-10-23(11-13-28)32-14-15-33-23/h2-7H,8-16H2,1H3,(H,24,30)

InChI Key

MUKRPRXKJHYNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.183

Distribution Coefficient, logD

1.183

Water Solubility, LogSw

-1.91

Polar Surface Area

82.741

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G395-1234 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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 G395-1234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1234?
Check Price and Availability of G395-1234, 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 G395-1234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1234
  • 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 G395-1234 available by request