MCULE-7847493456
- 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 | 33 USD | 90 | 19 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-7847493456.sdf |
SMILES | MCULE-7847493456.smiles |
Standard InChI | MCULE-7847493456.inchi |
InChIKey | MCULE-7847493456.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852137968 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889951751 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-20026038 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436448983 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851678338 | AmBeed | On request | N/A | As is | by synthesis |
P-590895669 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454699339 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861534133 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34839580 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862062377 | FluoroChem | General BB | N/A | As is | in stock |
P-596590714 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852399028 | Matrix Scientific | All | N/A | As is | in stock |
P-895522901 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23904490 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885525748 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22938586 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888577149 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855347236 | Toronto Research | In stock | 90 | As is | in stock |
P-3235605 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.955 g |
P-1331612 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.955 g |
Property | Value |
---|---|
Components | 1 |
Mass | 220.307 |
logP | 3.8483 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 7 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 67.1635 |
Atoms | 36 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 20 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |