Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9719752168
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 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-9719752168.sdf |
| SMILES | MCULE-9719752168.smiles |
| Standard InChI | MCULE-9719752168.inchi |
| InChIKey | MCULE-9719752168.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633915 | N/A | As is | in stock |
| P-875797943 | N/A | As is | in stock |
| P-869252260 | 95 | As is | in stock |
| P-903153841 | 95 | As is | 2.5 g |
| P-851796774 | N/A | As is | by synthesis |
| P-889801878 | 95 | As is | by synthesis |
| P-591100280 | 95 | As is | by synthesis |
| P-504732047 | 85 | As is | 5 mg |
| P-454754858 | 90 | As is | in stock |
| P-454693136 | 90 | As is | in stock |
| P-619829643 | 90 | As is | 95 mg |
| P-436446942 | 95 | As is | 10 g |
| P-675056953 | 90 | As is | in stock |
| P-19918168 | 90 | As is | in stock |
| P-868634785 | 95 | As is | in stock |
| P-34802143 | 90 | As is | by synthesis |
| P-580775102 | 90 | As is | by resynthesis (? - ? days) |
| P-580764588 | 90 | As is | in stock |
| P-596589318 | 90 | As is | 1000 mg |
| P-852397297 | N/A | As is | in stock |
| P-854919235 | 95 | As is | by synthesis |
| P-491127994 | 95 | As is | by synthesis |
| P-23881026 | 90 | As is | in stock |
| P-12534552 | 90 | As is | 54 mg |
| P-33464958 | 90 | As is | in stock |
| P-502341617 | 90 | As is | in stock |
| P-888492209 | 94 | As is | by resynthesis (? - ? days) |
| P-855217923 | 90 | As is | in stock |
| P-3231031 | 90 | As is | 1.115 g |
| P-987258 | 90 | As is | 1.115 g |
| P-893864746 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 242.269 |
| logP | 3.0867 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.3005 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
