MCULE-3539530308
- 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 | 12 USD | 97 | 17 working days | Get Quote |
5 mg | 12 USD | 97 | 17 working days | Get Quote |
10 mg | 12 USD | 97 | 17 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-7304248580
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3539530308.sdf |
SMILES | MCULE-3539530308.smiles |
Standard InChI | MCULE-3539530308.inchi |
InChIKey | MCULE-3539530308.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590368759 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-851609315 | AmBeed | On request | N/A | As is | by synthesis |
P-591173313 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-868598206 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862109281 | FluoroChem | General BB | 99 | As is | in stock |
P-864063983 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611377921 | Toronto Research | In stock | 90 | As is | in stock |
P-867448113 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-874628547 | AK Scientific | Building Blocks | 97 | Main component | in stock |
P-870647392 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
P-503859638 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
P-862384035 | Key Organics | Building Blocks | 97 | Main component | 25 g |
P-524163198 | Key Organics | Building Blocks | 98 | Main component | 5 g |
P-856005657 | Key Organics | Screening Compounds and Fragments | 98 | Main component | 100 mg |
P-519761320 | Maybridge | Maybridge Building Blocks | 97 | Main component | 734 g |
P-35187261 | Maybridge | Screening Collection | 97 | Main component | 734 kg |
P-854916492 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-13900127 | Pharmeks LLC | Semi-natural compounds | 92 | Main component | 300 mg |
P-19518875 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-885523577 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-885546756 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-33163369 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 1000 mg |
P-855231810 | Toronto Research | In stock | 90 | Main component | in stock |
P-893964903 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 314.766 |
logP | 2.5167 |
H-bond acceptors | 7 |
H-bond donors | 5 |
Rotatable bonds | 9 |
PSA | 128.3 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 81.3098 |
Atoms | 40 |
Rings | 1 |
Heavy atoms | 21 |
Hydrogen atoms | 19 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 1 |