Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9863564901
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 | 103 USD | 95 | 15 working days | Get Quote |
| 5 mg | 103 USD | 95 | 15 working days | Get Quote |
| 10 mg | 103 USD | 95 | 15 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-9863564901.sdf |
| SMILES | MCULE-9863564901.smiles |
| Standard InChI | MCULE-9863564901.inchi |
| InChIKey | MCULE-9863564901.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827284 | 97 | As is | in stock |
| P-875745691 | 97 | As is | in stock |
| P-590371288 | 95 | As is | by resynthesis (? - ? days) |
| P-903076049 | 95 | As is | 15 g |
| P-904334733 | 90 | As is | 1.08374 kg |
| P-875899755 | 95 | As is | by resynthesis (? - ? days) |
| P-606838971 | N/A | As is | in stock |
| P-489223951 | 97 | As is | in stock |
| P-900244792 | 95 | As is | 100 g |
| P-1273380408 | 95 | As is | by resynthesis (? - ? days) |
| P-864108751 | 95 | As is | in stock |
| P-1268576973 | 95 | As is | 350 mg |
| P-861277650 | 95 | As is | in stock |
| P-868600362 | 95 | As is | in stock |
| P-500158161 | 96 | As is | in stock |
| P-563381373 | 95 | As is | 250 mg |
| P-852503337 | 97 | As is | by synthesis |
| P-895255177 | 95 | As is | by synthesis |
| P-906870880 | 98 | As is | by synthesis |
| P-611507839 | 90 | As is | in stock |
| P-855236863 | 90 | As is | in stock |
| P-893944901 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.319 |
| logP | 0.8826 |
| H-bond acceptors | 7 |
| H-bond donors | 0 |
| Rotatable bonds | 7 |
| PSA | 89.98 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 77.506 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
