MCULE-6457622214
- 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 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-6790976747
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6457622214.sdf |
SMILES | MCULE-6457622214.smiles |
Standard InChI | MCULE-6457622214.inchi |
InChIKey | MCULE-6457622214.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852098705 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-875795544 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869339283 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-888179670 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-19880353 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-885358805 | AmBeed | In stock | N/A | As is | in stock |
P-888818867 | Angene | Building Blocks in stock | 97 | As is | 9 g |
P-611134834 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-874593526 | ChemDiv | Discovery Chemistry Library | 90 | As is | 96 mg |
P-34773507 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-488555798 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-454383718 | Key Organics | Building Blocks | 97 | As is | 1.132 g |
P-18742000 | Key Organics | Screening Compounds and Fragments | 97 | As is | 1.132 g |
P-852543764 | Matrix Scientific | All | N/A | As is | in stock |
P-624179539 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-13619035 | Pharmeks LLC | Synthetic compounds | 92 | As is | 81 mg |
P-18955546 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888652488 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869155472 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-22817941 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888434554 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855331650 | Toronto Research | In stock | 90 | As is | in stock |
P-617760220 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 282 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 255.278 |
logP | 2.9613 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 144.29 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 63.0272 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 5 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 |