MCULE-8792663748
- 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 | 10 USD | 98 | 16 working days | Get Quote |
5 mg | 27 USD | 98 | 16 working days | Get Quote |
10 mg | 40 USD | 98 | 16 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-6845000696
- Component type: Main
-
MCULE-2398805388
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8792663748.sdf |
SMILES | MCULE-8792663748.smiles |
Standard InChI | MCULE-8792663748.inchi |
InChIKey | MCULE-8792663748.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867542366 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875699384 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-853443690 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851874640 | AmBeed | On request | N/A | As is | by synthesis |
P-869420611 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868544419 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-888659623 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869164457 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-886923507 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
P-867542365 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-875699383 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-851807696 | AmBeed | On request | N/A | As a main component | by synthesis |
P-606921653 | AmBeed | In stock | N/A | As a main component | in stock |
P-596938620 | Angene | Building Blocks in stock | 98 | As a main component | 325 mg |
P-864133188 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-860798599 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
P-868079365 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-888645091 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-888642660 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869131514 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-869137163 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-666966205 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 393.446 |
logP | 3.1282 |
H-bond acceptors | 10 |
H-bond donors | 4 |
Rotatable bonds | 6 |
PSA | 149.66 |
RO5 violations | 0 |
RO3 violations | 6 |
Refractivity | 108.5217 |
Atoms | 52 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 23 |
Heteroatoms | 10 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
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 |