MCULE-3803576134
- 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 | 58 USD | 98 | 8 working days | Get Quote |
5 mg | 58 USD | 98 | 8 working days | Get Quote |
10 mg | 58 USD | 98 | 8 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-3803576134.sdf |
SMILES | MCULE-3803576134.smiles |
Standard InChI | MCULE-3803576134.inchi |
InChIKey | MCULE-3803576134.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-864197978 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-608220440 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
P-855923159 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-524161705 | Key Organics | Building Blocks | 98 | As is | 500 mg |
P-885558536 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 1331.354 |
logP | -6.0732 |
H-bond acceptors | 35 |
H-bond donors | 7 |
Rotatable bonds | 21 |
PSA | 400.05 |
RO5 violations | 3 |
RO3 violations | 5 |
Refractivity | 292.9066 |
Atoms | 189 |
Rings | 8 |
Heavy atoms | 91 |
Hydrogen atoms | 98 |
Heteroatoms | 35 |
N/O atoms | 35 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 35 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 35 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |