Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8294620772-0
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 | 78 USD | 95 | 17 working days | Get Quote |
| 5 mg | 78 USD | 95 | 17 working days | Get Quote |
| 10 mg | 78 USD | 95 | 17 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-1430999764-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8294620772-0.sdf |
| SMILES | MCULE-8294620772-0.smiles |
| Standard InChI | MCULE-8294620772-0.inchi |
| InChIKey | MCULE-8294620772-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886428695 | 90 | As is | by synthesis |
| P-1265558203 | 90 | As is | by synthesis |
| P-131219826 | 90 | As is | 30 mg |
| P-612864490 | 90 | Main component | by synthesis |
| P-889912563 | 90 | Main component | by synthesis |
| P-904504912 | 95 | Main component | by resynthesis (? - ? days) |
| P-893455391 | 90 | Main component | 19.267 g |
| P-851787001 | N/A | Main component | by synthesis |
| P-864220027 | 95 | Main component | by synthesis |
| P-591084476 | 95 | Main component | by synthesis |
| P-893258249 | 95 | Main component | by synthesis |
| P-492253907 | 95 | Main component | in stock |
| P-4146009 | 90 | Main component | 50 mg |
| P-619934213 | 90 | Main component | by synthesis |
| P-4768400 | 90 | Main component | 2 mg |
| P-436445133 | 90 | Main component | 15 g |
| P-24136 | 90 | Main component | 201 mg |
| P-436472237 | 95 | Main component | in stock |
| P-34659008 | 90 | Main component | by synthesis |
| P-563523609 | 95 | Main component | 1000 mg |
| P-1267084707 | 95 | Main component | 10 g |
| P-14062726 | 95 | Main component | 9.261 g |
| P-25758000 | 90 | Main component | 9.261 g |
| P-852508935 | 95 | Main component | by synthesis |
| P-895263162 | 95 | Main component | by synthesis |
| P-19648133 | 90 | Main component | in stock |
| P-33442278 | 90 | Main component | in stock |
| P-502359680 | 90 | Main component | in stock |
| P-611435665 | 90 | Main component | in stock |
| P-1271451459 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 211.647 |
| logP | 3.0104 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 64.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.0694 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
