Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3499242702-0
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 | 25 USD | 98 | 8 working days | Get Quote |
| 5 mg | 25 USD | 98 | 8 working days | Get Quote |
| 10 mg | 25 USD | 98 | 8 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-2339585996-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3499242702-0.sdf |
| SMILES | MCULE-3499242702-0.smiles |
| Standard InChI | MCULE-3499242702-0.inchi |
| InChIKey | MCULE-3499242702-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270680439 | N/A | As is | by synthesis |
| P-1274710592 | 95 | As is | by synthesis |
| P-1269282184 | N/A | As is | by synthesis |
| P-1274632111 | 95 | As is | 2 g |
| P-1275514965 | 95 | As is | by resynthesis (? - ? days) |
| P-1275483634 | 95 | As is | in stock |
| P-611612601 | 90 | As is | in stock |
| P-867547006 | N/A | Main component | in stock |
| P-875704478 | 98 | Main component | in stock |
| P-590404070 | 95 | Main component | by resynthesis (? - ? days) |
| P-580194013 | 98 | Main component | in stock |
| P-1264052063 | 95 | Main component | in stock |
| P-905490056 | 98 | Main component | 10 g |
| P-893558975 | 90 | Main component | 253.362 g |
| P-1270297983 | 98 | Main component | in stock |
| P-580245779 | 95 | Main component | by synthesis |
| P-617043777 | 95 | Main component | by resynthesis (? - ? days) |
| P-606864395 | N/A | Main component | in stock |
| P-489134176 | 97 | Main component | in stock |
| P-596926578 | 98 | Main component | 50 g |
| P-579788933 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273456063 | 95 | Main component | by resynthesis (? - ? days) |
| P-864105772 | 95 | Main component | in stock |
| P-860056570 | 98 | Main component | by synthesis |
| P-580707705 | 98 | Main component | 6.35 g |
| P-871218817 | N/A | Main component | by resynthesis (? - ? days) |
| P-893236679 | 95 | Main component | in stock |
| P-851278859 | 95 | Main component | by synthesis |
| P-860800458 | 98 | Main component | in stock |
| P-580452750 | 98 | Main component | in stock |
| P-868601593 | 98 | Main component | in stock |
| P-579479686 | 95 | Main component | in stock |
| P-854621091 | 98 | Main component | in stock |
| P-1275226942 | 98 | Main component | 250 mg |
| P-862021790 | 98 | Main component | 50 g |
| P-500419432 | 98 | Main component | in stock |
| P-868078332 | 95 | Main component | in stock |
| P-1273108962 | 95 | Main component | 69 mg |
| P-608121467 | 98 | Main component | in stock |
| P-854713884 | 95 | Main component | in stock |
| P-1263157034 | 95 | Main component | by synthesis |
| P-474026280 | 95 | Main component | in stock |
| P-878641245 | 98 | Main component | in stock |
| P-889872102 | 95 | Main component | by synthesis |
| P-579712930 | 98 | Main component | in stock |
| P-904080858 | 97 | Main component | 1000 mg |
| P-869162616 | 95 | Main component | 577 mg |
| P-892298076 | 95 | Main component | 571 mg |
| P-888657973 | 95 | Main component | 571 mg |
| P-611460015 | 90 | Main component | in stock |
| P-893983121 | 98 | Main component | in stock |
| P-1270680447 | N/A | Main component as a main component | by synthesis |
| P-1269282239 | N/A | Main component as a main component | by synthesis |
| P-611612604 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 350.841 |
| logP | 3.8573 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 86.19 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 98.9512 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 23 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
