Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3392213988-0
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 | 17 USD | 97 | 22 working days | Get Quote |
| 5 mg | 17 USD | 97 | 22 working days | Get Quote |
| 10 mg | 56 USD | 97 | 22 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-3392213988-0.sdf |
| SMILES | MCULE-3392213988-0.smiles |
| Standard InChI | MCULE-3392213988-0.inchi |
| InChIKey | MCULE-3392213988-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867690540 | 97 | As is | in stock |
| P-875869463 | 97 | As is | in stock |
| P-869209079 | 95 | As is | by resynthesis (? - ? days) |
| P-901328949 | 98 | As is | in stock |
| P-903342810 | 97 | As is | 500 mg |
| P-1264052653 | 95 | As is | in stock |
| P-893590101 | 90 | As is | 5.304 g |
| P-1270289452 | 98 | As is | in stock |
| P-851946059 | N/A | As is | in stock |
| P-868835819 | 98 | As is | 250 mg |
| P-1273254977 | 95 | As is | by resynthesis (? - ? days) |
| P-1273281486 | 95 | As is | by resynthesis (? - ? days) |
| P-889569116 | 95 | As is | in stock |
| P-611004479 | 98 | As is | 308 mg |
| P-893218854 | 95 | As is | in stock |
| P-871212256 | 95 | As is | by synthesis |
| P-861286724 | 98 | As is | in stock |
| P-861381308 | 95 | As is | by synthesis |
| P-868658688 | 95 | As is | in stock |
| P-873243194 | 95 | As is | 5 mg |
| P-854720852 | 95 | As is | in stock |
| P-871066239 | 95 | As is | in stock |
| P-608272333 | 98 | As is | in stock |
| P-892299585 | 95 | As is | unavailable |
| P-869163429 | 95 | As is | 154 mg |
| P-888658788 | 95 | As is | 154 mg |
| P-906798448 | 98 | As is | by synthesis |
| P-855344778 | 90 | As is | in stock |
| P-1271717102 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.288 |
| logP | 3.3458 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 84.22 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 79.3313 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
