Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9474100461-0
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-5021119550-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9474100461-0.sdf |
| SMILES | MCULE-9474100461-0.smiles |
| Standard InChI | MCULE-9474100461-0.inchi |
| InChIKey | MCULE-9474100461-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905448111 | 95 | As is | by synthesis |
| P-675064230 | 95 | As is | 10 g |
| P-887195885 | 95 | As is | by synthesis |
| P-867405216 | N/A | Main component | by synthesis |
| P-851743086 | N/A | Main component | by synthesis |
| P-489196611 | 97 | Main component | in stock |
| P-851149356 | 95 | Main component | by synthesis |
| P-893224713 | 95 | Main component | in stock |
| P-454681686 | 90 | Main component | in stock |
| P-584580112 | 90 | Main component | 27 mg |
| P-436442015 | 90 | Main component | 79 g |
| P-289210 | 90 | Main component | 1.558 g |
| P-34714633 | 90 | Main component | in stock |
| P-580787097 | 90 | Main component | by resynthesis (? - ? days) |
| P-854924789 | 95 | Main component | by synthesis |
| P-491225333 | 95 | Main component | by synthesis |
| P-24057166 | 90 | Main component | in stock |
| P-22613352 | 90 | Main component | in stock |
| P-502336651 | 90 | Main component | in stock |
| P-611457439 | 90 | Main component | in stock |
| P-2138301 | 90 | Main component | 110 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 219.707 |
| logP | 1.6312 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 29.54 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 61.017 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| 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 |
