Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9132967969-0
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 | 85 USD | 95 | 12 working days | Get Quote |
| 5 mg | 87 USD | 90 | 17 working days | Get Quote |
| 10 mg | 124 USD | 90 | 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-5807523116-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9132967969-0.sdf |
| SMILES | MCULE-9132967969-0.smiles |
| Standard InChI | MCULE-9132967969-0.inchi |
| InChIKey | MCULE-9132967969-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675255432 | 95 | As is | by synthesis |
| P-675350644 | 90 | As is | in stock |
| P-907195468 | 94 | As is | by resynthesis (? - ? days) |
| P-892876843 | 98 | Main component | in stock |
| P-890180358 | 98 | Main component | in stock |
| P-903291911 | N/A | Main component | 200 mg |
| P-904321250 | 90 | Main component | 604 mg |
| P-891662717 | N/A | Main component | by synthesis |
| P-895105233 | N/A | Main component | 200 mg |
| P-1273255011 | 95 | Main component | by resynthesis (? - ? days) |
| P-905589757 | 97 | Main component | by synthesis |
| P-1274905684 | 95 | Main component | by synthesis |
| P-35173860 | 90 | Main component | in stock |
| P-895186259 | 95 | Main component | in stock |
| P-892296623 | 95 | Main component | unavailable |
| P-892254332 | 95 | Main component | 1.34 g |
| P-892339087 | 95 | Main component | 1.34 g |
| P-1271607768 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 321.237 |
| logP | 5.3794 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 53.16 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 84.1687 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| 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 |
