G395-1680 Screening compound: N-[(4-methylphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-1680 Screening compound: N-[(4-methylphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-1680 Screening compound: N-[(4-methylphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1680
N-[(4-methylphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]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

G395-1680

Molecular Formula

C23H29N7O2 (C23 H29 N7 O2)

Compound Name

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

IUPAC name

N-[(4-methylphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

Cc1ccc(CNC(CCc2nnc(cc3)n2nc3NCCCN(CCC2)C2=O)=O)cc1

InChI

InChI=1S/C23H29N7O2/c1-17-5-7-18(8-6-17)16-25-22(31)12-11-21-27-26-20-10-9-19(28-30(20)21)24-13-3-15-29-14-2-4-23(29)32/h5-10H,2-4,11-16H2,1H3,(H,24,28)(H,25,31)

InChI Key

NPNUMYVOLXHLQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

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

0.692

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-1.77

Polar Surface Area

86.000

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G395-1680 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G395-1680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1680?
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What is the minimum amount of G395-1680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1680
  • 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 G395-1680 available by request