MCULE-3109519012-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-3109519012-0.sdf |
SMILES | MCULE-3109519012-0.smiles |
Standard InChI | MCULE-3109519012-0.inchi |
InChIKey | MCULE-3109519012-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867308212 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-612938912 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851685927 | AmBeed | On request | N/A | As is | by synthesis |
P-596363213 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596489897 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-889743288 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 3.1 g |
P-591074545 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-492223943 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-852383697 | Matrix Scientific | All | N/A | As is | in stock |
P-864020122 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12311108 | Otava | In-House Stock Library | 90 | As is | 836 mg |
P-492273493 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 836 mg |
P-19228684 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-23298100 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502348612 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611603753 | Toronto Research | In stock | 90 | As is | in stock |
P-2690125 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 98 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 217.220 |
logP | 1.8431 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 70.16 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.46 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 11 |
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 |