MCULE-5955608766
- 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 | 49 USD | 95 | 19 working days | Get Quote |
5 mg | 49 USD | 95 | 19 working days | Get Quote |
10 mg | 49 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-5955608766.sdf |
SMILES | MCULE-5955608766.smiles |
Standard InChI | MCULE-5955608766.inchi |
InChIKey | MCULE-5955608766.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875789376 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505351528 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881671485 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-613852817 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851420257 | AmBeed | On request | N/A | As is | by synthesis |
P-489212126 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590770778 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4186233 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-861437337 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-524162839 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
P-852463407 | Matrix Scientific | All | N/A | As is | in stock |
P-854890460 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-642733020 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-896074191 | Specs | Repurposed Compounds | N/A | As is | 1.407 g |
P-502408864 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611419847 | Toronto Research | In stock | 90 | As is | in stock |
P-893664220 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 256.641 |
logP | 2.762 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 91.99 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.4007 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 9 |
Heteroatoms | 7 |
N/O atoms | 6 |
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 |