G314-0021 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-fluorophenyl)propanamide

G314-0021 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-fluorophenyl)propanamide
G314-0021 Screening compound: 3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-fluorophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0021
3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}-N-(3-fluorophenyl)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

G314-0021

Molecular Formula

C16H16FN5O (C16 H16 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CCC(Nc2cccc(F)c2)=O)c(C)nn2c1nnc2

InChI

InChI=1S/C16H16FN5O/c1-10-14(11(2)21-22-9-18-20-16(10)22)6-7-15(23)19-13-5-3-4-12(17)8-13/h3-5,8-9H,6-7H2,1-2H3,(H,19,23)

InChI Key

LTTNOIHTPWOILN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.757

Water Solubility, LogSw

-2.28

Polar Surface Area

57.321

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G314-0021 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G314-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0021?
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What is the minimum amount of G314-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0021
  • 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 G314-0021 available by request