Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2949659575-0
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 | 25 USD | 95 | 14 working days | Get Quote |
| 5 mg | 38 USD | 95 | 14 working days | Get Quote |
| 10 mg | 57 USD | 95 | 14 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-2949659575-0.sdf |
| SMILES | MCULE-2949659575-0.smiles |
| Standard InChI | MCULE-2949659575-0.inchi |
| InChIKey | MCULE-2949659575-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612867161 | N/A | As is | by synthesis |
| P-875798641 | N/A | As is | in stock |
| P-894647523 | 95 | As is | by resynthesis (? - ? days) |
| P-851719590 | N/A | As is | by synthesis |
| P-489225119 | 97 | As is | in stock |
| P-596429763 | 90 | As is | 965 mg |
| P-596515620 | 90 | As is | 965 mg |
| P-591037173 | 95 | As is | by synthesis |
| P-492250683 | 95 | As is | in stock |
| P-427940170 | 90 | As is | 25 mg |
| P-861364937 | 95 | As is | by synthesis |
| P-580286336 | N/A | As is | by resynthesis (? - ? days) |
| P-855948605 | 95 | As is | 1000 mg |
| P-1272565368 | N/A | As is | 500 mg |
| P-852384193 | N/A | As is | by synthesis |
| P-854924965 | 95 | As is | by synthesis |
| P-1263764937 | 95 | As is | in stock |
| P-424898082 | 90 | As is | in stock |
| P-502348848 | 90 | As is | in stock |
| P-22512214 | 90 | As is | 15 mg |
| P-611602077 | 90 | As is | in stock |
| P-35079051 | 90 | As is | 281 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.219 |
| logP | 1.90598 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 66.02 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.4598 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
