Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3509592199
Compound
Show structure
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 | 13 USD | 99 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 16 working days | Get Quote |
| 10 mg | 34 USD | 99 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-3509592199.sdf |
| SMILES | MCULE-3509592199.smiles |
| Standard InChI | MCULE-3509592199.inchi |
| InChIKey | MCULE-3509592199.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558937 | 99 | As is | in stock |
| P-875718775 | 99 | As is | in stock |
| P-579762068 | 98 | As is | by resynthesis (? - ? days) |
| P-580193543 | 98 | As is | in stock |
| P-903047791 | 99 | As is | 1000 mg |
| P-1264048563 | 99 | As is | in stock |
| P-893509323 | 90 | As is | in stock |
| P-1270347113 | 99 | As is | in stock |
| P-606866020 | N/A | As is | in stock |
| P-489210776 | 97 | As is | in stock |
| P-596944500 | 99 | As is | 1000 mg |
| P-1273452111 | 95 | As is | by resynthesis (? - ? days) |
| P-864192933 | 95 | As is | in stock |
| P-584629687 | 99 | As is | 1.99 g |
| P-901518332 | 95 | As is | by synthesis |
| P-881633764 | 98 | As is | in stock |
| P-851239702 | 95 | As is | by synthesis |
| P-860797802 | 98 | As is | in stock |
| P-580451884 | 99 | As is | in stock |
| P-861369158 | 95 | As is | by synthesis |
| P-579480773 | 95 | As is | in stock |
| P-901409719 | 98 | As is | 1000 mg |
| P-870660377 | N/A | As is | in stock |
| P-868079438 | 95 | As is | in stock |
| P-1273109295 | 97 | As is | 100 mg |
| P-852519554 | N/A | As is | by synthesis |
| P-1263157231 | 95 | As is | by synthesis |
| P-854718700 | 95 | As is | in stock |
| P-608278631 | 98 | As is | in stock |
| P-885547065 | 95 | As is | by synthesis |
| P-579711199 | 98 | As is | in stock |
| P-892297460 | 95 | As is | unavailable |
| P-869162345 | 95 | As is | 148 mg |
| P-888657719 | 95 | As is | 143 mg |
| P-596714907 | 90 | As is | 50 mg |
| P-611376485 | 90 | As is | in stock |
| P-1271692121 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 359.718 |
| logP | 3.3584 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 124.25 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 95.8314 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 10 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
