Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6201338509-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 62 USD | 90 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3122779037-0
- Component type: Main
-
1
MCULE-5893043131-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6201338509-0.sdf |
| SMILES | MCULE-6201338509-0.smiles |
| Standard InChI | MCULE-6201338509-0.inchi |
| InChIKey | MCULE-6201338509-0.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 | 16 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-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 |
