G395-0768 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

G395-0768 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
G395-0768 Screening compound: 3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-0768
3-(6-{[(2-chlorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]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

G395-0768

Molecular Formula

C22H29ClN8O (C22 H29 ClN8 O)

Compound Name

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

IUPAC name

3-(6-{[(2-chlorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

SMILES

CN1CCN(CCNC(CCc2nnc(cc3)n2nc3NCc(cccc2)c2Cl)=O)CC1

InChI

InChI=1S/C22H29ClN8O/c1-29-12-14-30(15-13-29)11-10-24-22(32)9-8-21-27-26-20-7-6-19(28-31(20)21)25-16-17-4-2-3-5-18(17)23/h2-7H,8-16H2,1H3,(H,24,32)(H,25,28)

InChI Key

ZQJBMZIKXJFKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.077

Water Solubility, LogSw

-2.35

Polar Surface Area

75.947

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

G395-0768 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 G395-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-0768?
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What is the minimum amount of G395-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-0768
  • 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 G395-0768 available by request