G395-0543 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2,5-difluorophenyl)propanamide

G395-0543 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2,5-difluorophenyl)propanamide
G395-0543 Screening compound: 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2,5-difluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0543
3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2,5-difluorophenyl)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

G395-0543

Molecular Formula

C21H18F2N6O (C21 H18 F2 N6 O)

Compound Name

3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(2,5-difluorophenyl)propanamide

IUPAC name

3-[6-(benzylamino)-[124]triazolo[43-b]pyridazin-3-yl]-N-(25-difluorophenyl)propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc1ccccc1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C21H18F2N6O/c22-15-6-7-16(23)17(12-15)25-21(30)11-10-20-27-26-19-9-8-18(28-29(19)20)24-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,24,28)(H,25,30)

InChI Key

CACFDZXPDAPTAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.602

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-3.07

Polar Surface Area

66.626

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G395-0543 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G395-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0543?
Check Price and Availability of G395-0543, 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 G395-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0543
  • 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 G395-0543 available by request