MCULE-6960695081
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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-6960695081.sdf |
SMILES | MCULE-6960695081.smiles |
Standard InChI | MCULE-6960695081.inchi |
InChIKey | MCULE-6960695081.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893472714 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 57.844 g |
P-868824849 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 10 mg |
P-900154393 | AvaChem Scientific | In stock | 95 | As is | in stock |
P-900267500 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-452650213 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-851278094 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-579617324 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-852545691 | Matrix Scientific | All | N/A | As is | in stock |
P-896628663 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854693020 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-474022178 | MedKoo | In stock compounds | 95 | As is | in stock |
P-579710049 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-873283536 | Shanghai iChemical | In stock | N/A | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 450.608 |
logP | 6.6977 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 74.6 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 131.2946 |
Atoms | 71 |
Rings | 5 |
Heavy atoms | 33 |
Hydrogen atoms | 38 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 6 |
R/S chiral centers | 6 |
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 |