MCULE-9977820370-0
- 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 | 6 USD | N/A | 9 working days | Get Quote |
5 mg | 6 USD | N/A | 9 working days | Get Quote |
10 mg | 6 USD | N/A | 9 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.
-
MCULE-8318148980-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9977820370-0.sdf |
SMILES | MCULE-9977820370-0.smiles |
Standard InChI | MCULE-9977820370-0.inchi |
InChIKey | MCULE-9977820370-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867659297 | A2B Chem | Predominantly Building Block in stock | 97 | As a main component | in stock |
P-875827509 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-590370134 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-851938252 | AmBeed | In stock | N/A | As a main component | in stock |
P-489231077 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-865926056 | Angene | Building Blocks in stock | 97 | As a main component | 4.525 kg |
P-896035346 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-893254844 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-868615159 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
P-608220336 | Glentham Life Sciences | Compounds maintained in stock | N/A | As a main component | in stock |
P-855920620 | Key Organics | Building Blocks | 97 | As a main component | 25 g |
P-579627439 | LabSeeker, Inc | Stock Collection | 90 | As a main component | in stock |
P-856045696 | LaboTest | Building Blocks | 90 | As a main component | 10 g |
P-31161338 | LaboTest | Screening Collection | 90 | As a main component | 10 g |
P-885536224 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-892261353 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892342785 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
P-502365369 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-22520885 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 1000 mg |
P-611451962 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 456.684 |
logP | 6.8002 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 10 |
PSA | 9.49 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 151.4374 |
Atoms | 76 |
Rings | 3 |
Heavy atoms | 34 |
Hydrogen atoms | 42 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |