Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9711036147
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 | 50 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 95 | 26 working days | Get Quote |
| 10 mg | 82 USD | 95 | 26 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-9711036147.sdf |
| SMILES | MCULE-9711036147.smiles |
| Standard InChI | MCULE-9711036147.inchi |
| InChIKey | MCULE-9711036147.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886656855 | 95 | As is | in stock |
| P-901218017 | N/A | As is | by synthesis |
| P-869225714 | 95 | As is | in stock |
| P-903218447 | 95 | As is | 1000 mg |
| P-893457230 | 90 | As is | 530 mg |
| P-851642082 | N/A | As is | by synthesis |
| P-905447926 | 95 | As is | by synthesis |
| P-617428662 | 95 | As is | by synthesis |
| P-901533933 | 95 | As is | by synthesis |
| P-675064108 | 95 | As is | 30 g |
| P-861388354 | 95 | As is | by synthesis |
| P-575336988 | 95 | As is | in stock |
| P-502530727 | 95 | As is | by synthesis |
| P-502922975 | 90 | As is | in stock |
| P-492228803 | 95 | As is | in stock |
| P-588718169 | 95 | As is | 80 mg |
| P-563676876 | 95 | As is | 1000 mg |
| P-500223561 | 96 | As is | in stock |
| P-14062049 | 95 | As is | 190 mg |
| P-601062142 | 90 | As is | 190 mg |
| P-611663660 | N/A | As is | by synthesis |
| P-852508646 | N/A | As is | in stock |
| P-895263549 | 95 | As is | by synthesis |
| P-12471964 | 90 | As is | 1000 mg |
| P-491181374 | 95 | As is | by synthesis |
| P-19361775 | 90 | As is | in stock |
| P-502383926 | 90 | As is | in stock |
| P-611369924 | 90 | As is | in stock |
| P-886933296 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.148 |
| logP | 2.318 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.8143 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 5 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
