MCULE-3139979183-0
- 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 | 65 USD | 97 | 10 working days | Get Quote |
5 mg | 78 USD | 95 | 11 working days | Get Quote |
10 mg | 78 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-3139979183-0.sdf |
SMILES | MCULE-3139979183-0.smiles |
Standard InChI | MCULE-3139979183-0.inchi |
InChIKey | MCULE-3139979183-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872835413 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875833754 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-894612466 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893401782 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-851768212 | AmBeed | On request | N/A | As is | by synthesis |
P-864115456 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590953275 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-577180553 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868594054 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862099727 | FluoroChem | General BB | 95 | As is | in stock |
P-524185224 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-524184861 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-856007323 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-579623084 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-588251213 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852607322 | Matrix Scientific | All | N/A | As is | in stock |
P-854864271 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500408135 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-889872264 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-893680529 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893661345 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 319.352 |
logP | 2.5938 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 72.91 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.372 |
Atoms | 44 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 21 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |