MCULE-5022501777
- 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 | 134 USD | 98 | 20 working days | Get Quote |
5 mg | 134 USD | 98 | 20 working days | Get Quote |
10 mg | 134 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.
-
1
MCULE-9482387366
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5022501777.sdf |
SMILES | MCULE-5022501777.smiles |
Standard InChI | MCULE-5022501777.inchi |
InChIKey | MCULE-5022501777.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889897318 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-893588348 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.22 g |
P-891656608 | AmBeed | On request | N/A | As is | by synthesis |
P-619124572 | Angene | Building Blocks in stock | 98 | As is | 1.22 g |
P-864199047 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-861384657 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-855915030 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-895704927 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-22443030 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 20 mg |
P-855355963 | Toronto Research | In stock | 90 | As is | in stock |
P-868506883 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-22443045 | TimTec | ActiMol 1 Week - Stock | 90 | Main component as a main component | 8 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 261.787 |
logP | 0.4672 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 0.0 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 79.6554 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 20 |
Heteroatoms | 2 |
N/O atoms | 1 |
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 |