MCULE-9149359593
- 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 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
1
MCULE-1475418689
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9149359593.sdf |
SMILES | MCULE-9149359593.smiles |
Standard InChI | MCULE-9149359593.inchi |
InChIKey | MCULE-9149359593.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867412899 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893413091 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-867732773 | AmBeed | On request | N/A | As is | by synthesis |
P-892495379 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-611129227 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-617653862 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-852402097 | Matrix Scientific | All | N/A | As is | in stock |
P-864076340 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873215993 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611607854 | Toronto Research | In stock | 90 | As is | in stock |
P-617721728 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 994 mg |
P-617769267 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 994 mg |
P-886967240 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-893140100 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-893413090 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component | by synthesis |
P-851883152 | AmBeed | On request | N/A | Main component | by synthesis |
P-596495583 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-591050372 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
P-579672927 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-579686185 | LabSeeker, Inc | On demand Catalog | 95 | Main component | by resynthesis (? - ? days) |
P-895395687 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-886967239 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 223.700 |
logP | 3.6589 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 54.7 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.3251 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |