MCULE-5001549020
- 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 | 5 USD | 98 | 16 working days | Get Quote |
5 mg | 5 USD | 98 | 16 working days | Get Quote |
10 mg | 5 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.
Name | File |
---|---|
SDF | MCULE-5001549020.sdf |
SMILES | MCULE-5001549020.smiles |
Standard InChI | MCULE-5001549020.inchi |
InChIKey | MCULE-5001549020.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867569387 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875730120 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-597027279 | AEchem | Building blocks | 95 | As is | in stock |
P-869186651 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505389300 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-505392228 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-878261076 | AmBeed | In stock | N/A | As is | in stock |
P-606932773 | AmBeed | In stock | N/A | As is | in stock |
P-881648801 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | 100 mg |
P-596930287 | Angene | Building Blocks in stock | 95 | As is | 425 g |
P-872728550 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864144562 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-500413441 | AvaChem Scientific | All products | 98 | As is | by synthesis |
P-871221577 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
P-505573090 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
P-452649130 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-851268271 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580452069 | CliniSciences S.A.S | All products | 98 | As is | in stock |
P-868598025 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-579477375 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-862020298 | FluoroChem | General BB | N/A | As is | in stock |
P-870662313 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
P-505494038 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-488555700 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-488543953 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-596548731 | Key Organics | Biochemicals | 98 | As is | 100 mg |
P-579616398 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-854692543 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-474023993 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888170711 | Molnova | On demand | 98 | As is | by synthesis |
P-454363828 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-500400700 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885528740 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579710838 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-608157025 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
P-869176497 | TargetMol | Natural Products | 95 | As is | 20.104 g |
P-611360428 | Toronto Research | In stock | 90 | As is | in stock |
P-611360466 | Toronto Research | In stock | 90 | As is | in stock |
P-2376705 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.008 g |
P-575297289 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 266.333 |
logP | 4.2218 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 40.46 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 84.136 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 18 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |