MCULE-8814634396
- 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 | 97 USD | 99 | 20 working days | Get Quote |
5 mg | 97 USD | 99 | 20 working days | Get Quote |
10 mg | 97 USD | 99 | 20 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-7537131052
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8814634396.sdf |
SMILES | MCULE-8814634396.smiles |
Standard InChI | MCULE-8814634396.inchi |
InChIKey | MCULE-8814634396.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-445337060 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
P-611521869 | Toronto Research | In stock | 90 | As is | in stock |
P-860615055 | A2B Chem | Predominantly Building Block on demand | 98 | Main component | by synthesis |
P-890161051 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-865922829 | Angene | Building Blocks in stock | 98 | Main component | 600 mg |
P-889452470 | AstaTech | Backordered BBs | 98 | Main component | by synthesis |
P-864304593 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-893230010 | Biosynth | In Stock | 95 | Main component | in stock |
P-500373199 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
P-855294148 | Toronto Research | In stock | 90 | Main component | in stock |
P-868492225 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
P-875847624 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-596986048 | Angene | Building Blocks in stock | 99 | Main component as a main component | 700 mg |
P-864215410 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 460.476 |
logP | 3.0349 |
H-bond acceptors | 10 |
H-bond donors | 6 |
Rotatable bonds | 11 |
PSA | 165.42 |
RO5 violations | 1 |
RO3 violations | 6 |
Refractivity | 121.9078 |
Atoms | 61 |
Rings | 2 |
Heavy atoms | 33 |
Hydrogen atoms | 28 |
Heteroatoms | 10 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |