Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5865688871-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 12 USD | 98 | 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.
-
1
MCULE-4916399246-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5865688871-0.sdf |
| SMILES | MCULE-5865688871-0.smiles |
| Standard InChI | MCULE-5865688871-0.inchi |
| InChIKey | MCULE-5865688871-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-895192552 | 95 | As is | by synthesis |
| P-892258580 | 95 | As is | unavailable |
| P-892341280 | 95 | As is | unavailable |
| P-867589462 | 98 | Main component as a main component | in stock |
| P-875748884 | 98 | Main component as a main component | in stock |
| P-1275197825 | 98 | Main component as a main component | in stock |
| P-1275180549 | 98 | Main component as a main component | in stock |
| P-1275153511 | 95 | Main component as a main component | in stock |
| P-1264050367 | 95 | Main component as a main component | in stock |
| P-1270330329 | 98 | Main component as a main component | in stock |
| P-617053903 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-606909378 | N/A | Main component as a main component | in stock |
| P-489152544 | 97 | Main component as a main component | in stock |
| P-596955638 | 98 | Main component as a main component | 10 g |
| P-1273269378 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864095864 | 95 | Main component as a main component | in stock |
| P-580701470 | 98 | Main component as a main component | 36 g |
| P-871218820 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-893219407 | 95 | Main component as a main component | in stock |
| P-893236712 | 95 | Main component as a main component | in stock |
| P-851247390 | 95 | Main component as a main component | by synthesis |
| P-868597541 | 98 | Main component as a main component | in stock |
| P-579480791 | 95 | Main component as a main component | in stock |
| P-1273133063 | 98 | Main component as a main component | 10 g |
| P-870652879 | 98 | Main component as a main component | in stock |
| P-505516945 | 95 | Main component as a main component | in stock |
| P-890849674 | 95 | Main component as a main component | in stock |
| P-524168945 | 97 | Main component as a main component | 100 mg |
| P-1272597628 | 95 | Main component as a main component | 50 g |
| P-852522470 | 95 | Main component as a main component | by synthesis |
| P-854721389 | 95 | Main component as a main component | in stock |
| P-896629976 | 95 | Main component as a main component | by synthesis |
| P-474026195 | 95 | Main component as a main component | in stock |
| P-608277467 | 98 | Main component as a main component | in stock |
| P-617402701 | 98 | Main component as a main component | in stock |
| P-617608752 | 90 | Main component as a main component | 255 mg |
| P-892291410 | 95 | Main component as a main component | unavailable |
| P-869127242 | 95 | Main component as a main component | 172 mg |
| P-888640400 | 95 | Main component as a main component | 172 mg |
| P-855033332 | 90 | Main component as a main component | in stock |
| P-855033333 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 466.398 |
| logP | 2.1315 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 155.07 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 107.1349 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 1 |
| 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 |
