MCULE-2097767557
- 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 | 14 USD | 97 | 20 working days | Get Quote |
5 mg | 14 USD | 97 | 20 working days | Get Quote |
10 mg | 14 USD | 97 | 20 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-2097767557.sdf |
SMILES | MCULE-2097767557.smiles |
Standard InChI | MCULE-2097767557.inchi |
InChIKey | MCULE-2097767557.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875733705 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590362449 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881670897 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436459241 | Alinda | Building Blocks | 95 | As is | 25 g |
P-19868536 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851929830 | AmBeed | In stock | N/A | As is | in stock |
P-489105686 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596983222 | Angene | Building Blocks in stock | 97 | As is | 700 g |
P-864196358 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-4196605 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-454710851 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868616292 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580429355 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862032237 | FluoroChem | General BB | N/A | As is | in stock |
P-12512898 | InterBioScreen | Screening Compounds | 92 | As is | 190 mg |
P-596575226 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-852431125 | Matrix Scientific | All | N/A | As is | in stock |
P-854807614 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-445309953 | Pharmeks LLC | Synthetic compounds | 92 | As is | 190 mg |
P-500402742 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
P-424807372 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22468021 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 187 mg |
P-855310116 | Toronto Research | In stock | 90 | As is | in stock |
P-545146 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 370 mg |
P-615410827 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 342.342 |
logP | 3.8178 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 68.28 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 96.648 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |