G395-1697 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-1697 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-1697 Screening compound: N-[(4-methoxyphenyl)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 G395-1697
N-[(4-methoxyphenyl)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

G395-1697

Molecular Formula

C23H29N7O3 (C23 H29 N7 O3)

Compound Name

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

SMILES

COc1ccc(CNC(CCc2nnc(cc3)n2nc3NCCCN(CCC2)C2=O)=O)cc1

InChI

InChI=1S/C23H29N7O3/c1-33-18-7-5-17(6-8-18)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

IQSCVDOSIOSFRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15008205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.251

Distribution Coefficient, logD

0.251

Water Solubility, LogSw

-1.74

Polar Surface Area

93.544

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

G395-1697 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 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
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others

References: we are preparing a list of scientific research reports with G395-1697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1697?
Check Price and Availability of G395-1697, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G395-1697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1697
  • 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 G395-1697 available by request