G395-1499 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylpyridin-2-yl)propanamide

G395-1499 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylpyridin-2-yl)propanamide
G395-1499 Screening compound: 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylpyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1499
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylpyridin-2-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

G395-1499

Molecular Formula

C22H21N7O3 (C22 H21 N7 O3)

Compound Name

3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-(4-methylpyridin-2-yl)propanamide

IUPAC name

3-(6-{[(2H-13-benzodioxol-5-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-N-(4-methylpyridin-2-yl)propanamide

SMILES

Cc1cc(NC(CCc2nnc(cc3)n2nc3NCc(cc2)cc3c2OCO3)=O)ncc1

InChI

InChI=1S/C22H21N7O3/c1-14-8-9-23-19(10-14)25-22(30)7-6-21-27-26-20-5-4-18(28-29(20)21)24-12-15-2-3-16-17(11-15)32-13-31-16/h2-5,8-11H,6-7,12-13H2,1H3,(H,24,28)(H,23,25,30)

InChI Key

SCWRZWDKVKWIKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.875

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.48

Polar Surface Area

94.055

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

4.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G395-1499 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G395-1499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1499?
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What is the minimum amount of G395-1499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1499
  • 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 G395-1499 available by request