S586-0831 Screening compound: N~5~-ethyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide

S586-0831 Screening compound: N~5~-ethyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide
S586-0831 Screening compound: N~5~-ethyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-0831
N~5~-ethyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-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

S586-0831

Molecular Formula

C15H24N6O2 (C15 H24 N6 O2)

Compound Name

N~5~-ethyl-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide

IUPAC name

N-ethyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-4H5H6H7H-[123]triazolo[15-a]pyrazine-5-carboxamide

SMILES

CCNC(N1Cc2c(CCC(N3CCCC3)=O)nnn2CC1)=O

InChI

InChI=1S/C15H24N6O2/c1-2-16-15(23)20-9-10-21-13(11-20)12(17-18-21)5-6-14(22)19-7-3-4-8-19/h2-11H2,1H3,(H,16,23)

InChI Key

NYSPKSGUPRAWNR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.296

Distribution Coefficient, logD

-0.296

Water Solubility, LogSw

-0.35

Polar Surface Area

70.158

Acid Dissociation Constant (pKa)

16.76

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.33

S586-0831 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S586-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0831?
Check Price and Availability of S586-0831, 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 S586-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0831
  • 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 S586-0831 available by request