Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2203209145
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 40 USD | 95 | 7 working days | Get Quote |
| 10 mg | 65 USD | 95 | 7 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.
-
1
MCULE-9172944509
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2203209145.sdf |
| SMILES | MCULE-2203209145.smiles |
| Standard InChI | MCULE-2203209145.inchi |
| InChIKey | MCULE-2203209145.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860799784 | 98 | As is | in stock |
| P-869234002 | 95 | Main component | by resynthesis (? - ? days) |
| P-881653000 | 98 | Main component | in stock |
| P-1270388342 | 99 | Main component | in stock |
| P-606873682 | N/A | Main component | in stock |
| P-889587396 | 95 | Main component | in stock |
| P-868545031 | 98 | Main component | in stock |
| P-901557193 | 95 | Main component | by synthesis |
| P-675217695 | 95 | Main component | in stock |
| P-892297965 | 95 | Main component | unavailable |
| P-869162515 | 95 | Main component | 44 mg |
| P-888657878 | 95 | Main component | 44 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 413.852 |
| logP | 3.6771 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 84.67 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 111.9652 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
