Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4339094709-0
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-4101911669-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4339094709-0.sdf |
| SMILES | MCULE-4339094709-0.smiles |
| Standard InChI | MCULE-4339094709-0.inchi |
| InChIKey | MCULE-4339094709-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-902995349 | 99 | As is | by resynthesis (? - ? days) |
| P-893606490 | 90 | As is | 345 mg |
| P-1270389374 | 99 | As is | in stock |
| P-1273267592 | 95 | As is | by resynthesis (? - ? days) |
| P-904965525 | 95 | As is | in stock |
| P-901454799 | 95 | As is | by synthesis |
| P-851250643 | 95 | As is | by synthesis |
| P-1263255926 | 95 | As is | by synthesis |
| P-1273110647 | 97 | As is | 100 mg |
| P-852523627 | 95 | As is | by synthesis |
| P-872798394 | 95 | As is | in stock |
| P-872667478 | 95 | As is | in stock |
| P-888170938 | 98 | As is | by synthesis |
| P-892291253 | 95 | As is | unavailable |
| P-869127044 | 95 | As is | 100 mg |
| P-888640240 | 95 | As is | 100 mg |
| P-902997681 | 95 | Main component | by resynthesis (? - ? days) |
| P-1270367730 | 97 | Main component | in stock |
| P-1273412931 | 95 | Main component | by resynthesis (? - ? days) |
| P-904978713 | 95 | Main component | by synthesis |
| P-895184537 | 95 | Main component | in stock |
| P-905146328 | 95 | Main component | by synthesis |
| P-855065716 | 90 | Main component | in stock |
| P-1271667283 | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 480.423 |
| logP | 4.3222 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 141.8135 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 31 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
