G361-0680 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

G361-0680 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
G361-0680 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G361-0680
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

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

G361-0680

Molecular Formula

C31H38N6O2 (C31 H38 N6 O2)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxo-4H5H-pyrazolo[15-d][124]triazin-5-yl]acetamide

SMILES

CCc(cc1)ccc1-c(cc12)nn1C(C)=NN(CC(NCCCN1CCC(Cc3ccccc3)CC1)=O)C2=O

InChI

InChI=1S/C31H38N6O2/c1-3-24-10-12-27(13-11-24)28-21-29-31(39)36(33-23(2)37(29)34-28)22-30(38)32-16-7-17-35-18-14-26(15-19-35)20-25-8-5-4-6-9-25/h4-6,8-13,21,26H,3,7,14-20,22H2,1-2H3,(H,32,38)

InChI Key

YVJPUTOYKFFBKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15003257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.955

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-4.59

Polar Surface Area

68.790

Acid Dissociation Constant (pKa)

16.02

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

G361-0680 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G361-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G361-0680?
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What is the minimum amount of G361-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G361-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G361-0680
  • 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 G361-0680 available by request