MCULE-6201338509
- 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 | 35 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.
-
1
MCULE-3122779037
- Component type: Main
-
1
MCULE-5893043131
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6201338509.sdf |
SMILES | MCULE-6201338509.smiles |
Standard InChI | MCULE-6201338509.inchi |
InChIKey | MCULE-6201338509.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-617684431 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 410 mg |
P-617658407 | Otava | In-House Stock Library | 90 | As is | 410 mg |
P-596363210 | Asinex | General screening catalog | 90 | Main component | 43 mg |
P-5205185 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 25 mg |
P-12310530 | Otava | In-House Stock Library | 90 | Main component | 520 mg |
P-617683221 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 520 mg |
P-454018731 | Specs | Screening Compounds | 90 | Main component | 4 mg |
P-873066187 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
P-873074165 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
P-24175863 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | unavailable |
P-617684428 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component as a main component | 416 mg |
P-26361549 | Otava | In-House Stock Library | 90 | Main component as a main component | 416 mg |
P-617684429 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component as a main component | 886 mg |
P-26361552 | Otava | In-House Stock Library | 90 | Main component as a main component | 886 mg |
P-617684432 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component as a main component | 815 mg |
P-617684434 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component as a main component | 600 mg |
P-617684433 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | Main component as a main component | 994 mg |
P-26361562 | Otava | In-House Stock Library | 90 | Main component as a main component | 815 mg |
P-26361565 | Otava | In-House Stock Library | 90 | Main component as a main component | 994 mg |
P-26361569 | Otava | In-House Stock Library | 90 | Main component as a main component | 600 mg |
P-13253146 | Pharmeks LLC | Synthetic compounds | 92 | Main component as a main component | 204 mg |
P-617791880 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 50 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 513.416 |
logP | 3.9256 |
H-bond acceptors | 10 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 146.74 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 120.0716 |
Atoms | 58 |
Rings | 3 |
Heavy atoms | 36 |
Hydrogen atoms | 22 |
Heteroatoms | 13 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |