G314-0117 Screening compound: 3-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N~1~-(2-fluorobenzyl)propanamide

G314-0117 Screening compound: 3-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N~1~-(2-fluorobenzyl)propanamide
G314-0117 Screening compound: 3-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N~1~-(2-fluorobenzyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0117
3-(6,8-dimethyl[1,2,4]triazolo[4,3-b]pyridazin-7-yl)-N~1~-(2-fluorobenzyl)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

G314-0117

Molecular Formula

C17H18FN5O (C17 H18 FN5 O)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1c(CCC(NCc(cccc2)c2F)=O)c(C)nn2c1nnc2

InChI

InChI=1S/C17H18FN5O/c1-11-14(12(2)22-23-10-20-21-17(11)23)7-8-16(24)19-9-13-5-3-4-6-15(13)18/h3-6,10H,7-9H2,1-2H3,(H,19,24)

InChI Key

JRSIDHWMKBUZPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

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

1.678

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-1.99

Polar Surface Area

58.643

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G314-0117 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G314-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0117?
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What is the minimum amount of G314-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0117
  • 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 G314-0117 available by request