G395-1265 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

G395-1265 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
G395-1265 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1265
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[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

G395-1265

Molecular Formula

C22H25FN6O3 (C22 H25 FN6 O3)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-3-(6-{[(4-fluorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cc1)ccc1F)N(CC1)CCC11OCCO1

InChI

InChI=1S/C22H25FN6O3/c23-17-3-1-16(2-4-17)15-24-18-5-6-19-25-26-20(29(19)27-18)7-8-21(30)28-11-9-22(10-12-28)31-13-14-32-22/h1-6H,7-15H2,(H,24,27)

InChI Key

MWNPXIQRTHXQSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.820

Distribution Coefficient, logD

0.820

Water Solubility, LogSw

-1.75

Polar Surface Area

75.004

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G395-1265 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 G395-1265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1265?
Check Price and Availability of G395-1265, 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 G395-1265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1265
  • 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 G395-1265 available by request