MCULE-3287543449
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 19 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.
-
1
MCULE-2758992810
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3287543449.sdf |
SMILES | MCULE-3287543449.smiles |
Standard InChI | MCULE-3287543449.inchi |
InChIKey | MCULE-3287543449.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886772005 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890065384 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-893460949 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6 g |
P-895908360 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-893767442 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867412875 | A2B Chem | Predominantly Building Block on demand | 97 | Main component | by synthesis |
P-867530514 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894664269 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-893461680 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 11 g |
P-851721105 | AmBeed | On request | N/A | Main component | by synthesis |
P-892191657 | Angene | Building Blocks in stock | 97 | Main component | 1000 mg |
P-864252975 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-577180110 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
P-596592413 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
P-852597970 | Matrix Scientific | All | N/A | Main component | in stock |
P-854894416 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-424877430 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-885527333 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-611577235 | Toronto Research | In stock | 90 | Main component | in stock |
P-464675975 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 2.988 g |
P-2517546 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 2.988 g |
Property | Value |
---|---|
Components | 2 |
Mass | 211.729 |
logP | 3.9404 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 67.1697 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |