L108-0564 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione

L108-0564 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
L108-0564 Screening compound: 1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-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 L108-0564
1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-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

L108-0564

Molecular Formula

C21H17ClN6O3 (C21 H17 ClN6 O3)

Compound Name

1-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-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-(34-dimethylphenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione

SMILES

Cc(cc1)c(C)cc1N(C(C1N(Cc2nc(-c(cccc3)c3Cl)no2)N=NC11)=O)C1=O

InChI

InChI=1S/C21H17ClN6O3/c1-11-7-8-13(9-12(11)2)28-20(29)17-18(21(28)30)27(26-24-17)10-16-23-19(25-31-16)14-5-3-4-6-15(14)22/h3-9,17-18H,10H2,1-2H3

InChI Key

LNFSXJRAMZOCQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.86

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.416

Water Solubility, LogSw

-3.74

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

23.80

L108-0564 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L108-0564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L108-0564?
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What is the minimum amount of L108-0564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L108-0564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L108-0564
  • 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 L108-0564 available by request