Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9199919492
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 | 22 USD | 99 | 14 working days | Get Quote |
| 5 mg | 22 USD | 99 | 14 working days | Get Quote |
| 10 mg | 22 USD | 99 | 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-9199919492.sdf |
| SMILES | MCULE-9199919492.smiles |
| Standard InChI | MCULE-9199919492.inchi |
| InChIKey | MCULE-9199919492.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827913 | 95 | As is | in stock |
| P-875759408 | 95 | As is | in stock |
| P-1275161900 | 98 | As is | in stock |
| P-903094953 | 99 | As is | 250 mg |
| P-851493390 | N/A | As is | by synthesis |
| P-597009535 | 99 | As is | 250 mg |
| P-1273461642 | 95 | As is | by resynthesis (? - ? days) |
| P-889575707 | 95 | As is | in stock |
| P-606957917 | 95 | As is | by synthesis |
| P-870585774 | 95 | As is | in stock |
| P-889297096 | 99 | As is | 250 mg |
| P-863615970 | 99 | As is | by synthesis |
| P-870661368 | N/A | As is | in stock |
| P-596565095 | 97 | As is | 5 g |
| P-580466981 | 97 | As is | by synthesis |
| P-852599289 | 97 | As is | by synthesis |
| P-854793421 | 95 | As is | by synthesis |
| P-500400093 | 99 | As is | by synthesis |
| P-23118797 | 90 | As is | in stock |
| P-611484749 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 114.099 |
| logP | 0.0735 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 25.931 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 6 |
| 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 |
