S586-1231 Screening compound: N~5~-cyclohexyl-3-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide

S586-1231 Screening compound: N~5~-cyclohexyl-3-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide
S586-1231 Screening compound: N~5~-cyclohexyl-3-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-1231
N~5~-cyclohexyl-3-[3-(cyclopropylamino)-3-oxopropyl]-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

S586-1231

Molecular Formula

C18H28N6O2 (C18 H28 N6 O2)

Compound Name

N~5~-cyclohexyl-3-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrazine-5(4H)-carboxamide

IUPAC name

N-cyclohexyl-3-[2-(cyclopropylcarbamoyl)ethyl]-4H5H6H7H-[123]triazolo[15-a]pyrazine-5-carboxamide

SMILES

O=C(CCc1c(CN(CC2)C(NC3CCCCC3)=O)n2nn1)NC1CC1

InChI

InChI=1S/C18H28N6O2/c25-17(19-14-6-7-14)9-8-15-16-12-23(10-11-24(16)22-21-15)18(26)20-13-4-2-1-3-5-13/h13-14H,1-12H2,(H,19,25)(H,20,26)

InChI Key

SPCUVGSEKSKXCO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.046

Distribution Coefficient, logD

1.046

Water Solubility, LogSw

-1.60

Polar Surface Area

77.755

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.78

S586-1231 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S586-1231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-1231?
Check Price and Availability of S586-1231, 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 S586-1231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-1231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-1231
  • 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 S586-1231 available by request