Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9998456022-0
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 | 59 USD | 95 | 12 working days | Get Quote |
| 5 mg | 97 USD | 95 | 14 working days | Get Quote |
| 10 mg | 208 USD | 95 | 20 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-6134541241-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9998456022-0.sdf |
| SMILES | MCULE-9998456022-0.smiles |
| Standard InChI | MCULE-9998456022-0.inchi |
| InChIKey | MCULE-9998456022-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855290961 | 90 | As is | in stock |
| P-1266051241 | 95 | Main component | in stock |
| P-1265775947 | 95 | Main component | in stock |
| P-903085167 | 95 | Main component | 500 mg |
| P-904336227 | 90 | Main component | 500 mg |
| P-900244970 | 95 | Main component | 500 mg |
| P-901334758 | 95 | Main component | in stock |
| P-901567129 | 95 | Main component | by synthesis |
| P-901413877 | 95 | Main component | in stock |
| P-1263254993 | 95 | Main component | by synthesis |
| P-899784214 | 95 | Main component | 5 mg |
| P-901840324 | 95 | Main component | in stock |
| P-873286145 | N/A | Main component | in stock |
| P-1274334954 | 95 | Main component | unavailable |
| P-1274344099 | 95 | Main component | 195 mg |
| P-1274355580 | 95 | Main component | 195 mg |
| P-906853665 | 98 | Main component | by synthesis |
| P-1271652751 | 95 | Main component | in stock |
| P-852146633 | N/A | Main component as a main component | by synthesis |
| P-890024117 | N/A | Main component as a main component | by synthesis |
| P-869373743 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1275105117 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-901453840 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 439.371 |
| logP | 3.9144 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 42.01 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 125.011 |
| Atoms | 57 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
