MCULE-3536549871
- 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 | 5 USD | 98 | 16 working days | Get Quote |
5 mg | 7 USD | 98 | 16 working days | Get Quote |
10 mg | 7 USD | 98 | 16 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-3536549871.sdf |
SMILES | MCULE-3536549871.smiles |
Standard InChI | MCULE-3536549871.inchi |
InChIKey | MCULE-3536549871.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867555206 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875714195 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869193278 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505347697 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-869224879 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-608473699 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606903205 | AmBeed | In stock | N/A | As is | in stock |
P-489119044 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596927201 | Angene | Building Blocks in stock | 98 | As is | 126.638 g |
P-872728391 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-589655180 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864122994 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-580727826 | BLD pharm | In-stock building blocks | 98 | As is | 26.25 g |
P-851339695 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868614333 | Combi-Blocks | Building Block in stock | 99 | As is | in stock |
P-608495290 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-500237554 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
P-889115459 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
P-505516078 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-524161829 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
P-854719666 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-619673562 | Molnova | Stock | 98 | As is | in stock |
P-885537493 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617402479 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-851356965 | Synthonix | In-stock Building Blocks | 98 | As is | 167.42 g |
P-888658079 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-594275467 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-480988321 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 166.216 |
logP | 2.4404 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 40.46 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 49.875 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 14 |
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 |