Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3821322707
Compound
Show structures
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 | 98 | 8 working days | Get Quote |
| 5 mg | 22 USD | 98 | 8 working days | Get Quote |
| 10 mg | 22 USD | 98 | 8 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.
-
1
MCULE-5963849469
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3821322707.sdf |
| SMILES | MCULE-3821322707.smiles |
| Standard InChI | MCULE-3821322707.inchi |
| InChIKey | MCULE-3821322707.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867535337 | 98 | As is | in stock |
| P-875690424 | N/A | As is | in stock |
| P-597025413 | 95 | As is | in stock |
| P-575539992 | 98 | As is | in stock |
| P-903010138 | 98 | As is | 5 g |
| P-893442905 | 90 | As is | 6.257 g |
| P-580243555 | 95 | As is | by synthesis |
| P-606932805 | N/A | As is | in stock |
| P-489182716 | 97 | As is | in stock |
| P-596936105 | 98 | As is | 3 g |
| P-580195936 | 98 | As is | in stock |
| P-864107728 | 95 | As is | in stock |
| P-580698613 | 98 | As is | 7.25 g |
| P-861439375 | 98 | As is | by synthesis |
| P-862015801 | 98 | As is | 3 g |
| P-596548742 | 95 | As is | 100 mg |
| P-873390087 | 95 | As is | 10 g |
| P-31194625 | 90 | As is | 200 mg |
| P-852458424 | N/A | As is | in stock |
| P-896627181 | 95 | As is | by synthesis |
| P-854721863 | 95 | As is | in stock |
| P-584618311 | 95 | As is | in stock |
| P-619673518 | 98 | As is | in stock |
| P-1263956000 | 90 | As is | in stock |
| P-885540748 | 95 | As is | by synthesis |
| P-617403347 | N/A | As is | in stock |
| P-904257819 | 95 | As is | in stock |
| P-594274941 | 95 | As is | by synthesis |
| P-892296281 | 95 | As is | unavailable |
| P-888657040 | 95 | As is | 89 mg |
| P-906792648 | 98 | As is | by synthesis |
| P-611422633 | 90 | As is | in stock |
| P-855007655 | 90 | As is | in stock |
| P-575300528 | 95 | As is | in stock |
| P-860653071 | N/A | Main component as a main component | by synthesis |
| P-904507352 | 95 | Main component as a main component | in stock |
| P-851794343 | N/A | Main component as a main component | by synthesis |
| P-590968269 | 95 | Main component as a main component | by synthesis |
| P-895533443 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.691 |
| logP | -1.017 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.623 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 16 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
