MCULE-1180807155-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-1180807155-0.sdf |
SMILES | MCULE-1180807155-0.smiles |
Standard InChI | MCULE-1180807155-0.inchi |
InChIKey | MCULE-1180807155-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867462506 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894675039 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851861441 | AmBeed | On request | N/A | As is | by synthesis |
P-596378766 | Asinex | General screening catalog | 90 | As is | 336 mg |
P-596490429 | Asinex | General bb catalog | 90 | As is | 336 mg |
P-591040779 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-852417662 | Matrix Scientific | All | N/A | As is | in stock |
P-864059971 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19195352 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33174184 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 4 mg |
P-950664 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 252.720 |
logP | 3.8902 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 83.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.9476 |
Atoms | 25 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 9 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |