MCULE-8327589872-0
- 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 | 7 USD | 98 | 20 working days | Get Quote |
5 mg | 7 USD | 98 | 20 working days | Get Quote |
10 mg | 7 USD | 98 | 20 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.
-
MCULE-8180759180-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-8327589872-0.sdf |
SMILES | MCULE-8327589872-0.smiles |
Standard InChI | MCULE-8327589872-0.inchi |
InChIKey | MCULE-8327589872-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867586507 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875745923 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505347705 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-606876900 | AmBeed | In stock | N/A | As is | in stock |
P-596954730 | Angene | Building Blocks in stock | 98 | As is | 16.025 kg |
P-552039846 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864164209 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-580699113 | BLD pharm | In-stock building blocks | 95 | As is | 850 g |
P-868595933 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580437213 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862091569 | FluoroChem | General BB | N/A | As is | in stock |
P-890204791 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-579484460 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
P-524161847 | Key Organics | Building Blocks | 98 | As is | 500 g |
P-854692696 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-584619289 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608279599 | Molnova | Stock | 98 | As is | in stock |
P-424840221 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-859956401 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-869177105 | TargetMol | Natural Products | 95 | As is | 25.011 g |
P-502349334 | TimTec | Building Block Collection | 90 | As is | in stock |
P-3005465 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 298 mg |
P-575319320 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-615717081 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-851645916 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590971193 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-852454746 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854882290 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855365224 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 117.107 |
logP | -0.255 |
H-bond acceptors | 5 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 99.2 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 27.4066 |
Atoms | 15 |
Rings | 0 |
Heavy atoms | 8 |
Hydrogen atoms | 7 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |