G395-0816 Screening compound: N-(3,4-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-0816 Screening compound: N-(3,4-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-0816 Screening compound: N-(3,4-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0816
N-(3,4-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)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

G395-0816

Molecular Formula

C21H22N6O4 (C21 H22 N6 O4)

Compound Name

N-(3,4-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

IUPAC name

N-(34-dimethoxyphenyl)-3-(6-{[(furan-2-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

COc(ccc(NC(CCc1nnc(cc2)n1nc2NCc1ccco1)=O)c1)c1OC

InChI

InChI=1S/C21H22N6O4/c1-29-16-6-5-14(12-17(16)30-2)23-21(28)10-9-20-25-24-19-8-7-18(26-27(19)20)22-13-15-4-3-11-31-15/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,26)(H,23,28)

InChI Key

AKRXQKNUBVSIPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.721

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-2.14

Polar Surface Area

90.334

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G395-0816 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with G395-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0816?
Check Price and Availability of G395-0816, 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 G395-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0816
  • 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 G395-0816 available by request