S724-0005 Screening compound: 1-(azetidin-3-yl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide

S724-0005 Screening compound: 1-(azetidin-3-yl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide
S724-0005 Screening compound: 1-(azetidin-3-yl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0005
1-(azetidin-3-yl)-N-benzyl-1H-1,2,3-triazole-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

S724-0005

Molecular Formula

C13H15N5O (C13 H15 N5 O)

Compound Name

1-(azetidin-3-yl)-N-benzyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(azetidin-3-yl)-N-benzyl-1H-123-triazole-4-carboxamide

SMILES

O=C(c1cn(C2CNC2)nn1)NCc1ccccc1

InChI

InChI=1S/C13H15N5O/c19-13(15-6-10-4-2-1-3-5-10)12-9-18(17-16-12)11-7-14-8-11/h1-5,9,11,14H,6-8H2,(H,15,19)

InChI Key

OAXKQRHHCOGQGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22869673

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.248

Distribution Coefficient, logD

-2.703

Water Solubility, LogSw

-1.49

Polar Surface Area

63.004

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

S724-0005 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with S724-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0005?
Check Price and Availability of S724-0005, 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 S724-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0005
  • 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 S724-0005 available by request