MCULE-2605000559-0
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 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-2605000559-0.sdf |
SMILES | MCULE-2605000559-0.smiles |
Standard InChI | MCULE-2605000559-0.inchi |
InChIKey | MCULE-2605000559-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867607559 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875766656 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615731057 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851405645 | AmBeed | On request | N/A | As is | by synthesis |
P-489241359 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-864220298 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590726144 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-851269183 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861496202 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-861290232 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-861940459 | FluoroChem | General BB | 95 | As is | in stock |
P-852472211 | Matrix Scientific | All | N/A | As is | in stock |
P-854925381 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23983115 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-474052448 | Rieke Metals | Building Blocks | 97 | As is | in stock |
P-535659621 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
P-22528794 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 8 mg |
P-855014632 | Toronto Research | In stock | 90 | As is | in stock |
P-3202129 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 18 mg |
P-886954715 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 206.237 |
logP | 2.3702 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 54.37 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.6363 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |