MCULE-5034908720
- 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 | 164 USD | 90 | 8 working days | Get Quote |
5 mg | 187 USD | 95 | 19 working days | Get Quote |
10 mg | 187 USD | 95 | 19 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-5034908720.sdf |
SMILES | MCULE-5034908720.smiles |
Standard InChI | MCULE-5034908720.inchi |
InChIKey | MCULE-5034908720.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867621964 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875784206 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590364852 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851415781 | AmBeed | On request | N/A | As is | by synthesis |
P-596482310 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-595588539 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590739309 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-577166146 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-889111966 | FluoroChem | In Stock BB | 95 | As is | 1000 mg |
P-502449889 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-852401885 | Matrix Scientific | All | N/A | As is | in stock |
P-864032268 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873214699 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22514438 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 4 mg |
P-855302733 | Toronto Research | In stock | 90 | As is | in stock |
P-588733849 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-893779480 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 206.241 |
logP | 2.2134 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 66.56 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.4477 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |