G314-0133 Screening compound: N-[(4-bromophenyl)methyl]-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide

G314-0133 Screening compound: N-[(4-bromophenyl)methyl]-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide
G314-0133 Screening compound: N-[(4-bromophenyl)methyl]-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0133
N-[(4-bromophenyl)methyl]-3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}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

G314-0133

Molecular Formula

C17H18BrN5O (C17 H18 BrN5 O)

Compound Name

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

IUPAC name

N-[(4-bromophenyl)methyl]-3-{68-dimethyl-[124]triazolo[43-b]pyridazin-7-yl}propanamide

SMILES

Cc1c(CCC(NCc(cc2)ccc2Br)=O)c(C)nn2c1nnc2

InChI

InChI=1S/C17H18BrN5O/c1-11-15(12(2)22-23-10-20-21-17(11)23)7-8-16(24)19-9-13-3-5-14(18)6-4-13/h3-6,10H,7-9H2,1-2H3,(H,19,24)

InChI Key

ZFOJFUFRAZQWEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.27

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

2.138

Distribution Coefficient, logD

2.138

Water Solubility, LogSw

-2.56

Polar Surface Area

58.643

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

G314-0133 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G314-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0133?
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What is the minimum amount of G314-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0133
  • 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 G314-0133 available by request