MCULE-8042119119-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 48 USD | 90 | 30 working days | Get Quote |
5 mg | 60 USD | 90 | 30 working days | Get Quote |
10 mg | 65 USD | 97 | 11 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-3291987422-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8042119119-0.sdf |
SMILES | MCULE-8042119119-0.smiles |
Standard InChI | MCULE-8042119119-0.inchi |
InChIKey | MCULE-8042119119-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867648513 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889936416 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612935785 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851470168 | AmBeed | On request | N/A | As is | by synthesis |
P-889809022 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590797761 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-4142031 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 12 mg |
P-887075608 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-580413983 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-890217399 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590339828 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-502552577 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-855949216 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852402176 | Matrix Scientific | All | N/A | As is | in stock |
P-428013770 | Maybridge | Screening Collection | 95 | As is | 359 g |
P-854854375 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-859994289 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502334447 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611587695 | Toronto Research | In stock | 90 | As is | in stock |
P-893764671 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893112824 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-851892706 | AmBeed | On request | N/A | As a main component | by synthesis |
P-591042429 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-869039243 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 190.284 |
logP | 2.3793 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 29.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 63.0064 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |