L108-0254 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,5-dimethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0254 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,5-dimethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0254 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,5-dimethoxyphenyl)-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 L108-0254
1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,5-dimethoxyphenyl)-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

L108-0254

Molecular Formula

C21H17ClN6O5 (C21 H17 ClN6 O5)

Compound Name

1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,5-dimethoxyphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

IUPAC name

1-{[3-(2-chlorophenyl)-124-oxadiazol-5-yl]methyl}-5-(35-dimethoxyphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

COc1cc(N(C(C2N(Cc3nc(-c(cccc4)c4Cl)no3)N=NC22)=O)C2=O)cc(OC)c1

InChI

InChI=1S/C21H17ClN6O5/c1-31-12-7-11(8-13(9-12)32-2)28-20(29)17-18(21(28)30)27(26-24-17)10-16-23-19(25-33-16)14-5-3-4-6-15(14)22/h3-9,17-18H,10H2,1-2H3

InChI Key

FLYJHLXZEKLKMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11998999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.86

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.683

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.54

Polar Surface Area

103.803

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

L108-0254 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L108-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0254?
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What is the minimum amount of L108-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0254
  • 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 L108-0254 available by request