MCULE-8638046392-1
- 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 | 344 USD | 95 | 15 working days | Get Quote |
5 mg | 344 USD | 95 | 15 working days | Get Quote |
10 mg | 344 USD | 95 | 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-8638046392-1.sdf |
SMILES | MCULE-8638046392-1.smiles |
Standard InChI | MCULE-8638046392-1.inchi |
InChIKey | MCULE-8638046392-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489135499 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-893237707 | Biosynth | In Stock | 95 | As is | in stock |
P-851297289 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868078686 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-856082186 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
P-896627827 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854715622 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-889868830 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-851365880 | Synthonix | In-stock Building Blocks | 95 | As is | unavailable |
P-480558916 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 411.459 |
logP | 3.4849 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 100.55 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 120.0597 |
Atoms | 52 |
Rings | 5 |
Heavy atoms | 31 |
Hydrogen atoms | 21 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |