MCULE-3837214146
- 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 | 97 | 8 working days | Get Quote |
5 mg | 34 USD | 97 | 8 working days | Get Quote |
10 mg | 34 USD | 97 | 8 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-3837214146.sdf |
SMILES | MCULE-3837214146.smiles |
Standard InChI | MCULE-3837214146.inchi |
InChIKey | MCULE-3837214146.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867632007 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875796078 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-892786455 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436456148 | Alinda | Building Blocks | 95 | As is | in stock |
P-851952762 | AmBeed | In stock | N/A | As is | in stock |
P-865920061 | Angene | Building Blocks in stock | 97 | As is | 2.25 g |
P-869391135 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-666964363 | BLD pharm | In-stock building blocks | 97 | As is | 1.35 g |
P-427955011 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-619932316 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-870584231 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34780376 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-855961062 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-852410021 | Matrix Scientific | All | N/A | As is | in stock |
P-869056041 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-22850126 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-868512905 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 315.324 |
logP | 3.7615 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 67.49 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 90.8183 |
Atoms | 37 |
Rings | 4 |
Heavy atoms | 24 |
Hydrogen atoms | 13 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |