MCULE-2631563065-0
- 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 | 12 USD | 95 | 14 working days | Get Quote |
5 mg | 12 USD | 95 | 14 working days | Get Quote |
10 mg | 12 USD | 95 | 14 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-1868494404-1
- Component type: Main
-
1
MCULE-5396813937-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2631563065-0.sdf |
SMILES | MCULE-2631563065-0.smiles |
Standard InChI | MCULE-2631563065-0.inchi |
InChIKey | MCULE-2631563065-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885550383 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-852072079 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-852183051 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-889904176 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
P-505354037 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
P-865906523 | Angene | Building Blocks in stock | 97 | Main component as a main component | 400 g |
P-596650305 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
P-864156329 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
P-868614696 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
P-890849272 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-675100887 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
P-855056019 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-855053874 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-617781820 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 58 mg |
P-894011912 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 330.305 |
logP | -4.7406 |
H-bond acceptors | 10 |
H-bond donors | 2 |
Rotatable bonds | 11 |
PSA | 161.34 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 59.1786 |
Atoms | 35 |
Rings | 0 |
Heavy atoms | 21 |
Hydrogen atoms | 14 |
Heteroatoms | 11 |
N/O atoms | 10 |
Inorganic atoms | 1 |
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 |