C713-0002 Screening compound: 1'-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-[1,4'-bipiperidine]-4'-carboxamide

C713-0002 Screening compound: 1'-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-[1,4'-bipiperidine]-4'-carboxamide
C713-0002 Screening compound: 1'-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-[1,4'-bipiperidine]-4'-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0002
1'-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-[1,4'-bipiperidine]-4'-carboxamide

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

C713-0002

Molecular Formula

C22H27N7O (C22 H27 N7 O)

Compound Name

1'-{3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-[1,4'-bipiperidine]-4'-carboxamide

IUPAC name

1'-{3-phenyl-[124]triazolo[43-b]pyridazin-6-yl}-[14'-bipiperidine]-4'-carboxamide

SMILES

NC(C(CC1)(CCN1c1nn2c(-c3ccccc3)nnc2cc1)N1CCCCC1)=O

InChI

InChI=1S/C22H27N7O/c23-21(30)22(28-13-5-2-6-14-28)11-15-27(16-12-22)19-10-9-18-24-25-20(29(18)26-19)17-7-3-1-4-8-17/h1,3-4,7-10H,2,5-6,11-16H2,(H2,23,30)

InChI Key

OAQUVBXVNCESJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.755

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-2.91

Polar Surface Area

72.449

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C713-0002 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C713-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0002?
Check Price and Availability of C713-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C713-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0002
  • 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 C713-0002 available by request