Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8556509498-0
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 | 20 USD | 99 | 20 working days | Get Quote |
| 5 mg | 20 USD | 99 | 20 working days | Get Quote |
| 10 mg | 20 USD | 99 | 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-3206034734-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8556509498-0.sdf |
| SMILES | MCULE-8556509498-0.smiles |
| Standard InChI | MCULE-8556509498-0.inchi |
| InChIKey | MCULE-8556509498-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-617552280 | 99 | Main component | by synthesis |
| P-861276071 | 95 | Main component | in stock |
| P-869126620 | 95 | Main component | unavailable |
| P-888639956 | 95 | Main component | unavailable |
| P-611529808 | 90 | Main component | in stock |
| P-855010203 | 90 | Main component | in stock |
| P-855010208 | 90 | Main component | in stock |
| P-867604240 | 99 | Main component as a main component | in stock |
| P-867636814 | 99 | Main component as a main component | in stock |
| P-869243461 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-505394436 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-505401820 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-872726453 | 98 | Main component as a main component | in stock |
| P-1264051528 | 99 | Main component as a main component | in stock |
| P-893528737 | 90 | Main component as a main component | 500 mg |
| P-597008962 | 99 | Main component as a main component | 10 g |
| P-1273268576 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273369554 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864125374 | 95 | Main component as a main component | in stock |
| P-889781306 | 95 | Main component as a main component | in stock |
| P-860055528 | 99 | Main component as a main component | by synthesis |
| P-617552270 | 95 | Main component as a main component | by synthesis |
| P-900155388 | 99 | Main component as a main component | in stock |
| P-1263076052 | 99 | Main component as a main component | in stock |
| P-1263076065 | 99 | Main component as a main component | in stock |
| P-893229925 | 95 | Main component as a main component | in stock |
| P-893237815 | 95 | Main component as a main component | in stock |
| P-505528179 | 95 | Main component as a main component | in stock |
| P-524167104 | 95 | Main component as a main component | 10 mg |
| P-1273109963 | 97 | Main component as a main component | 100 mg |
| P-869133893 | 95 | Main component as a main component | unavailable |
| P-892295718 | 95 | Main component as a main component | unavailable |
| P-888643719 | 95 | Main component as a main component | unavailable |
| P-594274122 | 95 | Main component as a main component | 156 mg |
| P-888656693 | 95 | Main component as a main component | 156 mg |
| P-596714887 | 90 | Main component as a main component | 70 mg |
| P-906837978 | 99 | Main component as a main component | by synthesis |
| P-611398563 | 90 | Main component as a main component | in stock |
| P-611382206 | 90 | Main component as a main component | in stock |
| P-611491792 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 470.978 |
| logP | 5.2795 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 52.01 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 128.2358 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
