L108-0809 Screening compound: 1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-bromophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
Chemical Structure Depiction of ChemDiv screening compound L108-0809
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-bromophenyl)-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
L108-0809
Molecular Formula
C20H13BrN6O5 (C20 H13 BrN6 O5)
Compound Name
1-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-bromophenyl)-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazole-4,6-dione
IUPAC name
1-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-5-(4-bromophenyl)-1H3aH4H5H6H6aH-pyrrolo[34-d][123]triazole-46-dione
SMILES
O=C(C1N(Cc2nc(-c(cc3)cc4c3OCO4)no2)N=NC1C1=O)N1c(cc1)ccc1Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
497.26
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
11
Partition Coefficient, logP
2.872
Distribution Coefficient, logD
2.872
Water Solubility, LogSw
-3.19
Polar Surface Area
105.831
Acid Dissociation Constant (pKa)
10.96
Base Dissociation Constant (pKb)
-0.41
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
20.00
L108-0809 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Cysteine Proteases Inhibitors Library (7839 compounds)
SmartTM Library (51161 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Nervous system
- Cardiovascular
- Skin
- Metabolic
- Endocrine
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Proteases
- GPCR
- Receptor's ligands
References: we are preparing a list of scientific research reports with L108-0809 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)