G395-0519 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-methylpyridin-2-yl)propanamide

G395-0519 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-methylpyridin-2-yl)propanamide
G395-0519 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-methylpyridin-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0519
3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-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

G395-0519

Molecular Formula

C21H21N7O (C21 H21 N7 O)

Compound Name

3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(6-methylpyridin-2-yl)propanamide

IUPAC name

3-[6-(benzylamino)-[124]triazolo[43-b]pyridazin-3-yl]-N-(6-methylpyridin-2-yl)propanamide

SMILES

Cc1cccc(NC(CCc2nnc(cc3)n2nc3NCc2ccccc2)=O)n1

InChI

InChI=1S/C21H21N7O/c1-15-6-5-9-18(23-15)24-21(29)13-12-20-26-25-19-11-10-17(27-28(19)20)22-14-16-7-3-2-4-8-16/h2-11H,12-14H2,1H3,(H,22,27)(H,23,24,29)

InChI Key

BCUXGBBWCAGCRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.61

Polar Surface Area

76.314

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G395-0519 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G395-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0519?
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What is the minimum amount of G395-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0519
  • 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 G395-0519 available by request