L108-0714 Screening compound: 5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0714 Screening compound: 5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0714 Screening compound: 5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L108-0714
5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

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

L108-0714

Molecular Formula

C20H16N6O3S (C20 H16 N6 O3 S)

Compound Name

5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

5-[3-(methylsulfanyl)phenyl]-1-[(3-phenyl-124-oxadiazol-5-yl)methyl]-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

CSc1cc(N(C(C2N(Cc3nc(-c4ccccc4)no3)N=NC22)=O)C2=O)ccc1

InChI

InChI=1S/C20H16N6O3S/c1-30-14-9-5-8-13(10-14)26-19(27)16-17(20(26)28)25(24-22-16)11-15-21-18(23-29-15)12-6-3-2-4-7-12/h2-10,16-17H,11H2,1H3

InChI Key

LZBLRKVOZHAFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.440

Water Solubility, LogSw

-2.91

Polar Surface Area

88.716

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

L108-0714 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L108-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0714?
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What is the minimum amount of L108-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0714
  • 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 L108-0714 available by request