MCULE-5408997806
- 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 | 34 USD | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-5408997806.sdf |
SMILES | MCULE-5408997806.smiles |
Standard InChI | MCULE-5408997806.inchi |
InChIKey | MCULE-5408997806.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867630857 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875794543 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869346461 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505394544 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606901991 | AmBeed | In stock | N/A | As is | in stock |
P-489243504 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865919796 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-872727840 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864193465 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-860055983 | AvaChem Scientific | All products | 98 | As is | by synthesis |
P-868544670 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-606956087 | BLD pharm | In-stock building blocks | 97 | As is | 48 mg |
P-27661841 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-851239432 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860799588 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861381478 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862148170 | FluoroChem | General BB | N/A | As is | in stock |
P-12422747 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-524166690 | Key Organics | Building Blocks | 95 | As is | 10 mg |
P-31268438 | LaboTest | Screening Collection | 90 | As is | 20 mg |
P-852502536 | Matrix Scientific | All | N/A | As is | in stock |
P-854714846 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888172040 | Molnova | On demand | 98 | As is | by synthesis |
P-888843789 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-590208517 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18925926 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888658405 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869162948 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-430675 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 62 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 390.481 |
logP | 3.8883 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 147.99 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 104.2542 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 18 |
Heteroatoms | 8 |
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 |