MCULE-9368083572
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 62 USD | 90 | 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-9368083572.sdf |
SMILES | MCULE-9368083572.smiles |
Standard InChI | MCULE-9368083572.inchi |
InChIKey | MCULE-9368083572.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893054990 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596342640 | Asinex | General screening catalog | 90 | As is | 162 mg |
P-874567034 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-502645938 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-504264235 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12904697 | InterBioScreen | Screening Compounds | 92 | As is | 259 mg |
P-12345443 | Otava | In-House Stock Library | 90 | As is | 45 mg |
P-674667469 | Pharmeks LLC | Synthetic compounds | 92 | As is | 259 mg |
P-424812056 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23297891 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873065621 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-2241620 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 442.156 |
logP | 6.1285 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 70.23 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 103.5012 |
Atoms | 35 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |