Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6617302593-0
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 | 27 USD | 95 | 7 working days | Get Quote |
| 5 mg | 27 USD | 95 | 7 working days | Get Quote |
| 10 mg | 27 USD | 95 | 7 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-2260488471-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6617302593-0.sdf |
| SMILES | MCULE-6617302593-0.smiles |
| Standard InChI | MCULE-6617302593-0.inchi |
| InChIKey | MCULE-6617302593-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867497632 | 98 | As is | by synthesis |
| P-1265056650 | 98 | As is | by synthesis |
| P-886591917 | N/A | Main component | in stock |
| P-890152275 | N/A | Main component | in stock |
| P-872728035 | 98 | Main component | in stock |
| P-1264053228 | 99 | Main component | in stock |
| P-896027849 | 95 | Main component | in stock |
| P-893255712 | 95 | Main component | by synthesis |
| P-505494947 | 95 | Main component | in stock |
| P-588250869 | N/A | Main component | by synthesis |
| P-872798775 | 95 | Main component | in stock |
| P-1263157085 | 95 | Main component | by synthesis |
| P-1264442886 | 95 | Main component | in stock |
| P-888172669 | 98 | Main component | by synthesis |
| P-885559530 | 95 | Main component | by synthesis |
| P-424917976 | 90 | Main component | in stock |
| P-617403247 | 98 | Main component | in stock |
| P-904253493 | 95 | Main component | unavailable |
| P-869163478 | 95 | Main component | 32 mg |
| P-888658836 | 95 | Main component | 82 mg |
| P-855353403 | 90 | Main component | in stock |
| P-1271275604 | 99 | Main component | by synthesis |
| P-867675655 | N/A | Main component as a main component | in stock |
| P-875852211 | 98 | Main component as a main component | in stock |
| P-505393776 | 98 | Main component as a main component | by resynthesis (? - ? days) |
| P-1264050934 | 99 | Main component as a main component | in stock |
| P-865930388 | 98 | Main component as a main component | 50 mg |
| P-889498376 | 95 | Main component as a main component | by synthesis |
| P-901494925 | 95 | Main component as a main component | by synthesis |
| P-580450272 | 99 | Main component as a main component | in stock |
| P-890850991 | 90 | Main component as a main component | in stock |
| P-524443311 | 97 | Main component as a main component | 788 mg |
| P-588256149 | 97 | Main component as a main component | by synthesis |
| P-852599678 | 97 | Main component as a main component | by synthesis |
| P-854719800 | 95 | Main component as a main component | in stock |
| P-895208113 | 95 | Main component as a main component | by synthesis |
| P-584618721 | 95 | Main component as a main component | in stock |
| P-881187627 | 90 | Main component as a main component | 50 mg |
| P-1263956442 | 90 | Main component as a main component | in stock |
| P-617403246 | 98 | Main component as a main component | in stock |
| P-1274333594 | 95 | Main component as a main component | unavailable |
| P-869127181 | 95 | Main component as a main component | 51 mg |
| P-888640349 | 95 | Main component as a main component | 51 mg |
| P-502439590 | 90 | Main component as a main component | in stock |
| P-1272905705 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-611420009 | 90 | Main component as a main component | in stock |
| P-855009447 | 90 | Main component as a main component | in stock |
| P-617790133 | 90 | Main component as a main component | 343 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 339.812 |
| logP | 3.2505 |
| H-bond acceptors | 5 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 92.95 |
| RO5 violations | 0 |
| RO3 violations | 6 |
| Refractivity | 92.1205 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
