Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6845141191-0
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 14 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-5027881674-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6845141191-0.sdf |
| SMILES | MCULE-6845141191-0.smiles |
| Standard InChI | MCULE-6845141191-0.inchi |
| InChIKey | MCULE-6845141191-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-579710141 | N/A | As is | in stock |
| P-873282204 | N/A | As is | in stock |
| P-903041251 | 98 | Main component | 50 g |
| P-893608577 | 90 | Main component | 72.045 g |
| P-489131952 | 97 | Main component | in stock |
| P-580705226 | 98 | Main component | 37 g |
| P-881631982 | 98 | Main component | in stock |
| P-851262484 | 95 | Main component | by synthesis |
| P-868595462 | 98 | Main component | in stock |
| P-579481114 | 95 | Main component | in stock |
| P-905316656 | 95 | Main component | in stock |
| P-579621258 | 98 | Main component | 5 kg |
| P-852444601 | N/A | Main component | in stock |
| P-1263157840 | 95 | Main component | by synthesis |
| P-854718125 | 95 | Main component | in stock |
| P-474027231 | 95 | Main component | in stock |
| P-903038738 | 99 | Main component as a main component | 357 g |
| P-489184991 | 97 | Main component as a main component | in stock |
| P-580705231 | 99 | Main component as a main component | 1.1305 kg |
| P-505578436 | 98 | Main component as a main component | in stock |
| P-851247428 | 95 | Main component as a main component | by synthesis |
| P-868592255 | 98 | Main component as a main component | in stock |
| P-579478486 | 95 | Main component as a main component | in stock |
| P-608085390 | 95 | Main component as a main component | 250 g |
| P-852444413 | N/A | Main component as a main component | in stock |
| P-852522499 | N/A | Main component as a main component | in stock |
| P-854720151 | 95 | Main component as a main component | in stock |
| P-896631000 | 95 | Main component as a main component | in stock |
| P-474027234 | 95 | Main component as a main component | in stock |
| P-608273665 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 635.515 |
| logP | 3.3286 |
| H-bond acceptors | 19 |
| H-bond donors | 3 |
| Rotatable bonds | 19 |
| PSA | 269.85 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 145.3285 |
| Atoms | 77 |
| Rings | 2 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 20 |
| N/O atoms | 19 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
