S410-0280 Screening compound: 5-[(2,5-dimethylphenyl)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

S410-0280 Screening compound: 5-[(2,5-dimethylphenyl)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
S410-0280 Screening compound: 5-[(2,5-dimethylphenyl)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 S410-0280
5-[(2,5-dimethylphenyl)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

S410-0280

Molecular Formula

C20H18N6O2S (C20 H18 N6 O2 S)

Compound Name

5-[(2,5-dimethylphenyl)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-[(25-dimethylphenyl)methyl]-3-[3-(thiophen-3-yl)-124-oxadiazol-5-yl]-4H5H6H7H-[123]triazolo[15-a]pyrazin-4-one

SMILES

Cc1cc(CN(CCn2nnc(-c3nc(-c4cscc4)no3)c22)C2=O)c(C)cc1

InChI

InChI=1S/C20H18N6O2S/c1-12-3-4-13(2)15(9-12)10-25-6-7-26-17(20(25)27)16(22-24-26)19-21-18(23-28-19)14-5-8-29-11-14/h3-5,8-9,11H,6-7,10H2,1-2H3

InChI Key

XSOWFOOKTGFUMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.706

Water Solubility, LogSw

-3.71

Polar Surface Area

75.253

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S410-0280 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S410-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S410-0280?
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What is the minimum amount of S410-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S410-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S410-0280
  • 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 S410-0280 available by request