Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7475850048-1
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 | 20 USD | 98 | 16 working days | Get Quote |
| 5 mg | 20 USD | 98 | 16 working days | Get Quote |
| 10 mg | 20 USD | 98 | 16 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-1042386578-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7475850048-1.sdf |
| SMILES | MCULE-7475850048-1.smiles |
| Standard InChI | MCULE-7475850048-1.inchi |
| InChIKey | MCULE-7475850048-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904061194 | 95 | As is | by synthesis |
| P-1270149367 | 95 | Main component | in stock |
| P-1265921561 | 95 | Main component | in stock |
| P-489174402 | 97 | Main component | in stock |
| P-899990608 | 95 | Main component | by synthesis |
| P-869125066 | 95 | Main component | unavailable |
| P-888638714 | 95 | Main component | unavailable |
| P-867588787 | N/A | Main component as a main component | in stock |
| P-875748392 | 99 | Main component as a main component | in stock |
| P-872944975 | N/A | Main component as a main component | by synthesis |
| P-1273291603 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889498287 | 95 | Main component as a main component | by synthesis |
| P-590987890 | 95 | Main component as a main component | by synthesis |
| P-893247309 | 95 | Main component as a main component | by synthesis |
| P-505577842 | 98 | Main component as a main component | in stock |
| P-887183487 | 95 | Main component as a main component | by synthesis |
| P-873247628 | 97 | Main component as a main component | 500 mg |
| P-854711805 | 95 | Main component as a main component | in stock |
| P-608273527 | 98 | Main component as a main component | in stock |
| P-1263955912 | 90 | Main component as a main component | in stock |
| P-869108071 | 95 | Main component as a main component | 997 mg |
| P-892286733 | 95 | Main component as a main component | 997 mg |
| P-888627114 | 95 | Main component as a main component | 997 mg |
| P-611452246 | 90 | Main component as a main component | in stock |
| P-1271261678 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 281.779 |
| logP | 3.4229 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 42.16 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.596 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 20 |
| 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 |
