MCULE-1551930963
- 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 | 90 | 17 working days | Get Quote |
10 mg | 39 USD | 95 | 12 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-1551930963.sdf |
SMILES | MCULE-1551930963.smiles |
Standard InChI | MCULE-1551930963.inchi |
InChIKey | MCULE-1551930963.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889935356 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-595221681 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-19985574 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851830479 | AmBeed | On request | N/A | As is | by synthesis |
P-896032582 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-591006540 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-861493609 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34623295 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862096831 | FluoroChem | General BB | 95 | As is | in stock |
P-492215682 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-605295150 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502453362 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596574574 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-870640649 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-615645391 | LabNetwork | In stock | 95 | As is | in stock |
P-25757959 | Life Chemicals | Screening Compounds | 90 | As is | 48 mg |
P-854845847 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12954738 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-23968493 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502351439 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888431776 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611440629 | Toronto Research | In stock | 90 | As is | in stock |
P-1247347 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 569 mg |
P-666978075 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 270.350 |
logP | 2.6666 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 81.01 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 73.7574 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 18 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |