Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7176665038-1
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 | N/A | 20 working days | Get Quote |
| 5 mg | 20 USD | N/A | 20 working days | Get Quote |
| 10 mg | 20 USD | N/A | 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-2512838184-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7176665038-1.sdf |
| SMILES | MCULE-7176665038-1.smiles |
| Standard InChI | MCULE-7176665038-1.inchi |
| InChIKey | MCULE-7176665038-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587453 | N/A | As is | in stock |
| P-865910560 | N/A | As is | 3 g |
| P-893999970 | 95 | As is | in stock |
| P-590367442 | 95 | Main component | in stock |
| P-893584783 | 90 | Main component | 5.938 g |
| P-1263078650 | N/A | Main component | in stock |
| P-895937652 | 95 | Main component | by resynthesis (? - ? days) |
| P-864176839 | 95 | Main component | in stock |
| P-590937349 | 95 | Main component | by synthesis |
| P-871218836 | N/A | Main component | by resynthesis (? - ? days) |
| P-893236637 | 95 | Main component | in stock |
| P-889117922 | 95 | Main component | 3 g |
| P-870653648 | 95 | Main component | in stock |
| P-588710861 | 95 | Main component | unavailable |
| P-31197202 | 90 | Main component | 2 g |
| P-856043970 | 90 | Main component | 2 g |
| P-584624915 | 95 | Main component | in stock |
| P-878645322 | 98 | Main component | in stock |
| P-888876727 | N/A | Main component | in stock |
| P-885545215 | 95 | Main component | by synthesis |
| P-869120809 | 95 | Main component | by synthesis |
| P-892289580 | 95 | Main component | unavailable |
| P-888635556 | 95 | Main component | 147 mg |
| P-502335741 | 90 | Main component | in stock |
| P-22499073 | 90 | Main component | 500 mg |
| P-855049329 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 230.219 |
| logP | 2.3223 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 66.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.6511 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
