G395-0732 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

G395-0732 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
G395-0732 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0732
1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)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

G395-0732

Molecular Formula

C26H28ClN7O (C26 H28 ClN7 O)

Compound Name

1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-3-(6-{[(2-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cccc1)c1Cl)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C26H28ClN7O/c27-22-9-5-4-8-21(22)18-28-23-10-11-24-29-30-25(34(24)31-23)12-13-26(35)33-16-14-32(15-17-33)19-20-6-2-1-3-7-20/h1-11H,12-19H2,(H,28,31)

InChI Key

NDNKEJZYFOFMCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-3.38

Polar Surface Area

64.108

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

G395-0732 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G395-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0732?
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What is the minimum amount of G395-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0732
  • 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 G395-0732 available by request