S586-0934 Screening compound: 3-[5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-morpholino-1-propanone

S586-0934 Screening compound: 3-[5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-morpholino-1-propanone
S586-0934 Screening compound: 3-[5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-morpholino-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-0934
3-[5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-morpholino-1-propanone

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

S586-0934

Molecular Formula

C18H27N5O3 (C18 H27 N5 O3)

Compound Name

3-[5-(cyclopentylcarbonyl)-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl]-1-morpholino-1-propanone

IUPAC name

3-{5-cyclopentanecarbonyl-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}-1-(morpholin-4-yl)propan-1-one

SMILES

O=C(CCc1c(CN(CC2)C(C3CCCC3)=O)n2nn1)N1CCOCC1

InChI

InChI=1S/C18H27N5O3/c24-17(21-9-11-26-12-10-21)6-5-15-16-13-22(7-8-23(16)20-19-15)18(25)14-3-1-2-4-14/h14H,1-13H2

InChI Key

LZNFWRMSDPYUTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.009

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

0.13

Polar Surface Area

68.218

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

S586-0934 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S586-0934 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0934?
Check Price and Availability of S586-0934, 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 S586-0934 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0934
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0934
  • 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 S586-0934 available by request