MCULE-2344206158
- 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 | 30 working days | Get Quote |
5 mg | 81 USD | 90 | 30 working days | Get Quote |
10 mg | 93 USD | 90 | 30 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-2344206158.sdf |
SMILES | MCULE-2344206158.smiles |
Standard InChI | MCULE-2344206158.inchi |
InChIKey | MCULE-2344206158.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886536353 | A2B Chem | Predominantly Building Block in stock | 93 | As is | in stock |
P-889903847 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869284467 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-889751976 | AmBeed | In stock | N/A | As is | in stock |
P-892187510 | Angene | Building Blocks in stock | 97 | As is | 750 mg |
P-896030237 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890240290 | BLD pharm | In-stock building blocks | 97 | As is | unavailable |
P-851277700 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-889728088 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-890217892 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590340325 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-854853385 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-859994601 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611610439 | Toronto Research | In stock | 90 | As is | in stock |
P-893752609 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 228.271 |
logP | 2.1421 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 97.64 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 55.0181 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |