G395-1052 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-1052 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-1052 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1052
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-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

G395-1052

Molecular Formula

C27H32N8O (C27 H32 N8 O)

Compound Name

N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

IUPAC name

N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-3-(6-{[(pyridin-3-yl)methyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

Cc1ccc(CN2CC(CNC(CCc3nnc(cc4)n3nc4NCc3cnccc3)=O)CC2)cc1

InChI

InChI=1S/C27H32N8O/c1-20-4-6-21(7-5-20)18-34-14-12-23(19-34)17-30-27(36)11-10-26-32-31-25-9-8-24(33-35(25)26)29-16-22-3-2-13-28-15-22/h2-9,13,15,23H,10-12,14,16-19H2,1H3,(H,29,33)(H,30,36)/t23-/m1/s1

InChI Key

TWMSLHJRFPKMBI-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15007861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.191

Distribution Coefficient, logD

-2.597

Water Solubility, LogSw

-1.25

Polar Surface Area

82.196

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

11.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

G395-1052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G395-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1052?
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What is the minimum amount of G395-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1052
  • 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 G395-1052 available by request