G395-1302 Screening compound: 3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one

G395-1302 Screening compound: 3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one
G395-1302 Screening compound: 3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1302
3-(6-{[(4-fluorophenyl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,2,3,4-tetrahydroisoquinolin-2-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

G395-1302

Molecular Formula

C24H23FN6O (C24 H23 FN6 O)

Compound Name

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

IUPAC name

3-(6-{[(4-fluorophenyl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)-1-(1234-tetrahydroisoquinolin-2-yl)propan-1-one

SMILES

O=C(CCc1nnc(cc2)n1nc2NCc(cc1)ccc1F)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H23FN6O/c25-20-7-5-17(6-8-20)15-26-21-9-10-22-27-28-23(31(22)29-21)11-12-24(32)30-14-13-18-3-1-2-4-19(18)16-30/h1-10H,11-16H2,(H,26,29)

InChI Key

PVMLIZGTHUBHJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15007987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

2.715

Water Solubility, LogSw

-2.80

Polar Surface Area

60.229

Acid Dissociation Constant (pKa)

16.34

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G395-1302 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
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 G395-1302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1302?
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What is the minimum amount of G395-1302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1302
  • 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 G395-1302 available by request