Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9379919989
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-9379919989.sdf |
| SMILES | MCULE-9379919989.smiles |
| Standard InChI | MCULE-9379919989.inchi |
| InChIKey | MCULE-9379919989.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867557123 | 98 | As is | in stock |
| P-875716143 | 98 | As is | in stock |
| P-597024609 | 97 | As is | unavailable |
| P-1275193985 | 97 | As is | in stock |
| P-1275155185 | 95 | As is | in stock |
| P-903044155 | 98 | As is | 500 g |
| P-905485316 | 97 | As is | 100 g |
| P-907313278 | 95 | As is | unavailable |
| P-1270296867 | 98 | As is | in stock |
| P-580199025 | 95 | As is | 20 mg |
| P-617063826 | 97 | As is | in stock |
| P-606916995 | N/A | As is | in stock |
| P-489127055 | 97 | As is | in stock |
| P-596927348 | 96 | As is | 1000 g |
| P-1274794268 | 95 | As is | 2 g |
| P-864096543 | 95 | As is | in stock |
| P-580698707 | 98 | As is | 131.25 g |
| P-893229321 | 95 | As is | in stock |
| P-454661929 | 90 | As is | in stock |
| P-892173533 | 95 | As is | by synthesis |
| P-436475769 | 95 | As is | in stock |
| P-851305638 | 95 | As is | by synthesis |
| P-861274307 | 95 | As is | in stock |
| P-868599926 | 98 | As is | in stock |
| P-580401596 | 95 | As is | by resynthesis (? - ? days) |
| P-862001600 | 96 | As is | 1.66493 kg |
| P-905339587 | 96 | As is | 230 g |
| P-675213856 | 95 | As is | in stock |
| P-502508991 | 95 | As is | by synthesis |
| P-492229495 | 95 | As is | in stock |
| P-502898704 | 90 | As is | in stock |
| P-488549820 | 90 | As is | in stock |
| P-13741548 | 92 | As is | 300 mg |
| P-454381233 | 95 | As is | 8.096 g |
| P-18801698 | 95 | As is | 8.096 g |
| P-580476382 | N/A | As is | by synthesis |
| P-852413956 | N/A | As is | by synthesis |
| P-1272572890 | N/A | As is | in stock |
| P-519759078 | 97 | As is | in stock |
| P-35275262 | 97 | As is | in stock |
| P-854735906 | 95 | As is | in stock |
| P-12633507 | 90 | As is | 1000 mg |
| P-454368362 | 92 | As is | in stock |
| P-885529520 | 95 | As is | by synthesis |
| P-19520734 | 90 | As is | in stock |
| P-23526662 | 90 | As is | 25 mg |
| P-596767955 | 97 | As is | 470.3 g |
| P-502375187 | 90 | As is | in stock |
| P-1272899431 | 94 | As is | by resynthesis (? - ? days) |
| P-611455593 | 90 | As is | in stock |
| P-2377645 | 90 | As is | 1.1 g |
| P-1279195169 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.115 |
| logP | 2.3907 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 67.43 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.8665 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
