S410-0872 Screening compound: 5-[(OXOLAN-2-YL)METHYL]-3-[3-(THIOPHEN-3-YL)-1,2,4-OXADIAZOL-5-YL]-4H,5H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZIN-4-ONE

S410-0872 Screening compound: 5-[(OXOLAN-2-YL)METHYL]-3-[3-(THIOPHEN-3-YL)-1,2,4-OXADIAZOL-5-YL]-4H,5H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZIN-4-ONE
S410-0872 Screening compound: 5-[(OXOLAN-2-YL)METHYL]-3-[3-(THIOPHEN-3-YL)-1,2,4-OXADIAZOL-5-YL]-4H,5H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S410-0872
5-[(OXOLAN-2-YL)METHYL]-3-[3-(THIOPHEN-3-YL)-1,2,4-OXADIAZOL-5-YL]-4H,5H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZIN-4-ONE

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

S410-0872

Molecular Formula

C16H16N6O3S (C16 H16 N6 O3 S)

Compound Name

5-[(OXOLAN-2-YL)METHYL]-3-[3-(THIOPHEN-3-YL)-1,2,4-OXADIAZOL-5-YL]-4H,5H,6H,7H-[1,2,3]TRIAZOLO[1,5-A]PYRAZIN-4-ONE

IUPAC name

5-[(oxolan-2-yl)methyl]-3-[3-(thiophen-3-yl)-124-oxadiazol-5-yl]-4H5H6H7H-[123]triazolo[15-a]pyrazin-4-one

SMILES

O=C1N(CC2OCCC2)CCn2nnc(-c3nc(-c4cscc4)no3)c12

InChI

InChI=1S/C16H16N6O3S/c23-16-13-12(15-17-14(19-25-15)10-3-7-26-9-10)18-20-22(13)5-4-21(16)8-11-2-1-6-24-11/h3,7,9,11H,1-2,4-6,8H2/t11-/m1/s1

InChI Key

JQCFOQCFQDKCKO-LLVKDONJSA-N

MDL Number (MFCD)

MFCD29004401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.126

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-2.04

Polar Surface Area

83.907

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

S410-0872 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S410-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S410-0872?
Check Price and Availability of S410-0872, 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 S410-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S410-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S410-0872
  • 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 S410-0872 available by request