MCULE-7873890076
- 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 | 39 USD | 95 | 9 working days | Get Quote |
5 mg | 77 USD | 97 | 20 working days | Get Quote |
10 mg | 96 USD | 97 | 15 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-7873890076.sdf |
SMILES | MCULE-7873890076.smiles |
Standard InChI | MCULE-7873890076.inchi |
InChIKey | MCULE-7873890076.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867633801 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
P-875798158 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590389593 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893523365 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.204 g |
P-606866363 | AmBeed | In stock | N/A | As is | in stock |
P-489170936 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865920566 | Angene | Building Blocks in stock | 97 | As is | 84 mg |
P-896024807 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890241918 | BLD pharm | In-stock building blocks | 97 | As is | 42 mg |
P-871221434 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-893225383 | Biosynth | In Stock | 95 | As is | in stock |
P-452651461 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-851313949 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861369050 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-873243434 | Key Organics | Building Blocks | 97 | As is | 1 mg |
P-896629968 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854693091 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-872670459 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878642294 | Molnova | Stock | 98 | As is | in stock |
P-893297132 | Specs | Natural Products | 80 | As is | 10 mg |
P-892277401 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869179182 | TargetMol | Natural Products | 95 | As is | in stock |
P-892301168 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892353338 | TargetMol | Screening Compounds - stock amount | 95 | As is | 200 mg |
P-33163141 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 9 mg |
P-611483050 | Toronto Research | In stock | 90 | As is | in stock |
P-886951065 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 300.262 |
logP | 2.5854 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 2 |
PSA | 100.13 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 80.481 |
Atoms | 34 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |