MCULE-4848177351-0
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 72 USD | 95 | 10 working days | Get Quote |
10 mg | 72 USD | 95 | 10 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-4913720259-0
- Component type: Main
-
1
MCULE-9976402631-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4848177351-0.sdf |
SMILES | MCULE-4848177351-0.smiles |
Standard InChI | MCULE-4848177351-0.inchi |
InChIKey | MCULE-4848177351-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867614853 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875775745 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615730611 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851618276 | AmBeed | On request | N/A | As is | by synthesis |
P-590909772 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-616225661 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4137582 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-619933757 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861529476 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862057222 | FluoroChem | General BB | 95 | As is | in stock |
P-855947785 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852404724 | Matrix Scientific | All | N/A | As is | in stock |
P-854934601 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873218614 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611399515 | Toronto Research | In stock | 90 | As is | in stock |
P-893674540 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867405295 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-894624730 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851634128 | AmBeed | On request | N/A | Main component | by synthesis |
P-489224726 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-590849602 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-580781725 | Crea-Chim | Building Blocks | 90 | Main component | by resynthesis (? - ? days) |
P-889116564 | FluoroChem | In Stock BB | 95 | Main component | 1000 mg |
P-588711562 | Key Organics | Building Blocks | 95 | Main component | unavailable |
P-864033542 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-491135149 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 347.358 |
logP | 3.1231 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 93.7 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 89.4765 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 16 |
Heteroatoms | 9 |
N/O atoms | 5 |
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 |