Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1397819581
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 | 52 USD | 95 | 11 working days | Get Quote |
| 5 mg | 52 USD | 95 | 11 working days | Get Quote |
| 10 mg | 52 USD | 95 | 11 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-2952854749
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1397819581.sdf |
| SMILES | MCULE-1397819581.smiles |
| Standard InChI | MCULE-1397819581.inchi |
| InChIKey | MCULE-1397819581.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867670506 | 95 | As is | in stock |
| P-875844464 | N/A | As is | in stock |
| P-904607666 | 95 | As is | in stock |
| P-611123734 | 95 | As is | by synthesis |
| P-870581359 | 95 | As is | in stock |
| P-855951927 | 95 | As is | 1000 mg |
| P-869056615 | 95 | As is | by synthesis |
| P-893682132 | 95 | As is | by synthesis |
| P-867493916 | 95 | Main component | by synthesis |
| P-889925089 | N/A | Main component | by synthesis |
| P-619827864 | 90 | Main component | 7 mg |
| P-34765038 | 90 | Main component | by synthesis |
| P-31205958 | 90 | Main component | 200 mg |
| P-12508996 | 90 | Main component | 265 mg |
| P-22779097 | 90 | Main component | in stock |
| P-873061251 | 94 | Main component | by resynthesis (? - ? days) |
| P-873104251 | 94 | Main component | by resynthesis (? - ? days) |
| P-892446046 | 90 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 379.130 |
| logP | 5.229 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 21.26 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 85.1687 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
