Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9465623190-0
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 | 14 USD | 98 | 14 working days | Get Quote |
| 5 mg | 14 USD | 98 | 14 working days | Get Quote |
| 10 mg | 14 USD | 98 | 14 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-8503033566-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9465623190-0.sdf |
| SMILES | MCULE-9465623190-0.smiles |
| Standard InChI | MCULE-9465623190-0.inchi |
| InChIKey | MCULE-9465623190-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-424432434 | 90 | As is | 50 mg |
| P-867597366 | 98 | Main component | in stock |
| P-875756526 | 98 | Main component | in stock |
| P-588246413 | 95 | Main component | by resynthesis (? - ? days) |
| P-903091253 | 98 | Main component | 30 g |
| P-489199772 | 97 | Main component | in stock |
| P-596984756 | 98 | Main component | 125 g |
| P-864109620 | 95 | Main component | in stock |
| P-619602262 | 98 | Main component | 11 g |
| P-893229228 | 95 | Main component | in stock |
| P-34859418 | 90 | Main component | in stock |
| P-868614499 | 95 | Main component | in stock |
| P-862071919 | 95 | Main component | 10 g |
| P-870647438 | N/A | Main component | in stock |
| P-870647473 | 97 | Main component | in stock |
| P-870648100 | 98 | Main component | in stock |
| P-454394994 | 95 | Main component | 5 g |
| P-596564598 | 97 | Main component | 100 mg |
| P-905626233 | 95 | Main component | 1000 mg |
| P-889736522 | 98 | Main component | in stock |
| P-611666166 | N/A | Main component | by synthesis |
| P-584618574 | 95 | Main component | in stock |
| P-617692608 | 95 | Main component | 296 mg |
| P-424123130 | 90 | Main component | 296 mg |
| P-885535211 | 95 | Main component | by synthesis |
| P-19539587 | 90 | Main component | in stock |
| P-873285422 | N/A | Main component | in stock |
| P-22636772 | 90 | Main component | in stock |
| P-873228105 | 90 | Main component | in stock |
| P-888438611 | 94 | Main component | by resynthesis (? - ? days) |
| P-906759137 | 98 | Main component | by synthesis |
| P-611460651 | 90 | Main component | in stock |
| P-1285354 | 90 | Main component | 208 mg |
| P-615453364 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 199.700 |
| logP | 2.0438 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 88.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.9912 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
