MCULE-8208316970
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-8208316970.sdf |
SMILES | MCULE-8208316970.smiles |
Standard InChI | MCULE-8208316970.inchi |
InChIKey | MCULE-8208316970.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852114166 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889939334 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-34892623 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436452682 | Alinda | Building Blocks | 95 | As is | 5 g |
P-851447961 | AmBeed | On request | N/A | As is | by synthesis |
P-590770161 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-3953610 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-454619483 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861525279 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862063427 | FluoroChem | General BB | N/A | As is | in stock |
P-855971709 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852406685 | Matrix Scientific | All | N/A | As is | in stock |
P-895679916 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621859254 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-873219729 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888577543 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855303241 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 212.332 |
logP | 1.9618 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 32.34 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 67.4967 |
Atoms | 39 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 24 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |