S724-0002 Screening compound: 1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

S724-0002 Screening compound: 1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole
S724-0002 Screening compound: 1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S724-0002
1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

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

S724-0002

Molecular Formula

C10H15N5O (C10 H15 N5 O)

Compound Name

1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazole

IUPAC name

1-(azetidin-3-yl)-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

O=C(c1cn(C2CNC2)nn1)N1CCCC1

InChI

InChI=1S/C10H15N5O/c16-10(14-3-1-2-4-14)9-7-15(13-12-9)8-5-11-6-8/h7-8,11H,1-6H2

InChI Key

DWOXNWSTUQPGQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD21846633

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

221.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.523

Distribution Coefficient, logD

-3.474

Water Solubility, LogSw

-0.70

Polar Surface Area

55.605

Acid Dissociation Constant (pKa)

24.62

Base Dissociation Constant (pKb)

10.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

S724-0002 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S724-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S724-0002?
Check Price and Availability of S724-0002, 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 S724-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S724-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S724-0002
  • 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 S724-0002 available by request