Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4180397691-0
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 | 10 USD | 97 | 20 working days | Get Quote |
| 5 mg | 10 USD | 97 | 20 working days | Get Quote |
| 10 mg | 10 USD | 97 | 20 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-9790458882-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4180397691-0.sdf |
| SMILES | MCULE-4180397691-0.smiles |
| Standard InChI | MCULE-4180397691-0.inchi |
| InChIKey | MCULE-4180397691-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901268697 | N/A | As is | in stock |
| P-893431502 | 90 | As is | by synthesis |
| P-869032096 | 95 | As is | by synthesis |
| P-896070317 | 95 | As is | in stock |
| P-886961174 | 95 | As is | by synthesis |
| P-867607941 | N/A | Main component | in stock |
| P-875767333 | N/A | Main component | in stock |
| P-579760701 | 98 | Main component | in stock |
| P-903105483 | 98 | Main component | 9.9 g |
| P-905489264 | 97 | Main component | 10 g |
| P-893534658 | 90 | Main component | 472.199 g |
| P-489129070 | 97 | Main component | in stock |
| P-597009570 | 97 | Main component | 50 g |
| P-596511863 | 90 | Main component | unavailable |
| P-864123263 | 95 | Main component | in stock |
| P-901460633 | 95 | Main component | by synthesis |
| P-492247233 | 95 | Main component | in stock |
| P-454761134 | 90 | Main component | in stock |
| P-454691146 | 90 | Main component | in stock |
| P-619826148 | 90 | Main component | 46 mg |
| P-34530008 | 90 | Main component | by synthesis |
| P-861298495 | 90 | Main component | by synthesis |
| P-580780197 | 90 | Main component | by resynthesis (? - ? days) |
| P-580769297 | 90 | Main component | in stock |
| P-502540862 | 95 | Main component | by synthesis |
| P-492220420 | 95 | Main component | in stock |
| P-856078306 | 95 | Main component | 250 g |
| P-901962975 | 95 | Main component | by synthesis |
| P-580492108 | N/A | Main component | by synthesis |
| P-852396172 | N/A | Main component | in stock |
| P-855399218 | 95 | Main component | in stock |
| P-491069929 | 95 | Main component | by synthesis |
| P-873282515 | N/A | Main component | in stock |
| P-904101442 | 97 | Main component | 85 g |
| P-502328908 | 90 | Main component | in stock |
| P-906766286 | 97 | Main component | by synthesis |
| P-611485559 | 90 | Main component | in stock |
| P-615398804 | 95 | Main component | in stock |
| P-901265979 | N/A | Main component as a main component | in stock |
| P-612942870 | 95 | Main component as a main component | in stock |
| P-489232180 | 97 | Main component as a main component | in stock |
| P-892495417 | 90 | Main component as a main component | 1000 mg |
| P-427955677 | 90 | Main component as a main component | 5 mg |
| P-34791440 | 90 | Main component as a main component | by synthesis |
| P-890850327 | 95 | Main component as a main component | in stock |
| P-852383593 | N/A | Main component as a main component | in stock |
| P-895712323 | 95 | Main component as a main component | by synthesis |
| P-638211899 | 90 | Main component as a main component | by synthesis |
| P-903637861 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-611485560 | 90 | Main component as a main component | in stock |
| P-886953415 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 279.203 |
| logP | 2.9711 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 24.5 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 82.4717 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
