MCULE-8131756770-1
- 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 | 13 USD | 95 | 11 working days | Get Quote |
5 mg | 13 USD | 95 | 11 working days | Get Quote |
10 mg | 13 USD | 95 | 11 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-8131756770-1.sdf |
SMILES | MCULE-8131756770-1.smiles |
Standard InChI | MCULE-8131756770-1.inchi |
InChIKey | MCULE-8131756770-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867602263 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875759751 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505389477 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-893604855 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.5005 kg |
P-864280832 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
P-868595668 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580432153 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-870653040 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505492809 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-583850652 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-524444410 | Key Organics | Biochemicals | 97 | As is | unavailable |
P-13275948 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-500374885 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-892286786 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892310294 | TargetMol | Screening Compounds - stock amount | 95 | As is | 149 mg |
P-611491149 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 359.655 |
logP | 6.0373 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 63.21 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 89.3607 |
Atoms | 30 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 9 |
Heteroatoms | 7 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |