G314-0045 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-methylbutyl)propanamide

G314-0045 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-methylbutyl)propanamide
G314-0045 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-methylbutyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0045
3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-methylbutyl)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

G314-0045

Molecular Formula

C15H23N5O (C15 H23 N5 O)

Compound Name

3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-methylbutyl)propanamide

IUPAC name

3-{68-dimethyl-[124]triazolo[43-b]pyridazin-7-yl}-N-(3-methylbutyl)propanamide

SMILES

CC(C)CCNC(CCc1c(C)c2nncn2nc1C)=O

InChI

InChI=1S/C15H23N5O/c1-10(2)7-8-16-14(21)6-5-13-11(3)15-18-17-9-20(15)19-12(13)4/h9-10H,5-8H2,1-4H3,(H,16,21)

InChI Key

RNCVYWGKGXFOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.172

Distribution Coefficient, logD

1.172

Water Solubility, LogSw

-1.56

Polar Surface Area

58.756

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G314-0045 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS MPO Library (28609 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G314-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0045?
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What is the minimum amount of G314-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0045
  • 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 G314-0045 available by request