MCULE-8033419939
- 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 | 49 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-8033419939.sdf |
SMILES | MCULE-8033419939.smiles |
Standard InChI | MCULE-8033419939.inchi |
InChIKey | MCULE-8033419939.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886289060 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596411787 | Asinex | General screening catalog | 90 | As is | unavailable |
P-596492724 | Asinex | General bb catalog | 90 | As is | unavailable |
P-6239935 | ChemDiv | Discovery Chemistry Library | 90 | As is | 30 mg |
P-502819441 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502839163 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503858243 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-13607379 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-14169356 | Life Chemicals | Screening Compounds | 90 | As is | 238 mg |
P-621085279 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-864674610 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19280440 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33813829 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-888380379 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-888379314 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-25631523 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 276.317 |
logP | 1.6894 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 113.3 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 72.3707 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 7 |
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 |