MCULE-7786960196
- 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-7786960196.sdf |
SMILES | MCULE-7786960196.smiles |
Standard InChI | MCULE-7786960196.inchi |
InChIKey | MCULE-7786960196.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867349411 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-894627922 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851720573 | AmBeed | On request | N/A | As is | by synthesis |
P-864252058 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591045905 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-607676444 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
P-516919888 | Eximed | Building Block Catalog | 95 | As is | 1.99 g |
P-516895265 | Eximed | In-stock screening compounds | 90 | As is | 1.99 g |
P-492235874 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502932377 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-488545065 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13852800 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595790 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-854888270 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-26365957 | Otava | In-House Stock Library | 90 | As is | 1.99 g |
P-620215023 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.99 g |
P-454365311 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-864654215 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856068617 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.99 g |
P-424853844 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33989871 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873234818 | TimTec | Building Block Collection | 90 | As is | in stock |
P-25732994 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.505 g |
P-464686422 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.505 g |
Property | Value |
---|---|
Components | 1 |
Mass | 221.252 |
logP | 1.9812 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 66.4 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 61.9135 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 15 |
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 |