G314-0018 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(2-ethylphenyl)propanamide

G314-0018 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(2-ethylphenyl)propanamide
G314-0018 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(2-ethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0018
3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(2-ethylphenyl)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

G314-0018

Molecular Formula

C18H21N5O (C18 H21 N5 O)

Compound Name

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

IUPAC name

3-{68-dimethyl-[124]triazolo[43-b]pyridazin-7-yl}-N-(2-ethylphenyl)propanamide

SMILES

CCc(cccc1)c1NC(CCc1c(C)c2nncn2nc1C)=O

InChI

InChI=1S/C18H21N5O/c1-4-14-7-5-6-8-16(14)20-17(24)10-9-15-12(2)18-21-19-11-23(18)22-13(15)3/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)

InChI Key

NQWXNSYKBBPXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.103

Water Solubility, LogSw

-2.68

Polar Surface Area

56.623

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G314-0018 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Purinergic Library (3321 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G314-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0018?
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What is the minimum amount of G314-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0018
  • 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 G314-0018 available by request