MCULE-4463448028
- 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 | 36 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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.
-
MCULE-3060538829
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4463448028.sdf |
SMILES | MCULE-4463448028.smiles |
Standard InChI | MCULE-4463448028.inchi |
InChIKey | MCULE-4463448028.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860632797 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-889897802 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-853431953 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893553398 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.4 g |
P-851580492 | AmBeed | On request | N/A | As is | by synthesis |
P-868826447 | Angene | Building Blocks in stock | 95 | As is | 500 mg |
P-596401139 | Asinex | General screening catalog | 90 | As is | 94 mg |
P-869406482 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590852719 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4137448 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-851289411 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887171537 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580305965 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889308382 | FluoroChem | General BB | 97 | As is | in stock |
P-502600486 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12668948 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-500155262 | J&W Pharmlab | In-stock compounds | 97 | As is | in stock |
P-613303787 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-854827980 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12515697 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-13353779 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-18835487 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-424843275 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12620063 | Specs | Screening Compounds | 90 | As is | 121 mg |
P-873067134 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-22956856 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611437426 | Toronto Research | In stock | 90 | As is | in stock |
P-1918788 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 199 mg |
P-615462638 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 208.258 |
logP | 3.3097 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 17.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.594 |
Atoms | 28 |
Rings | 3 |
Heavy atoms | 16 |
Hydrogen atoms | 12 |
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 |