Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4647656844-0
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 | 20 USD | 95 | 8 working days | Get Quote |
| 5 mg | 20 USD | 95 | 8 working days | Get Quote |
| 10 mg | 20 USD | 95 | 8 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-2512838184-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4647656844-0.sdf |
| SMILES | MCULE-4647656844-0.smiles |
| Standard InChI | MCULE-4647656844-0.inchi |
| InChIKey | MCULE-4647656844-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869215682 | 98 | As is | in stock |
| P-606836514 | N/A | As is | in stock |
| P-489228773 | 97 | As is | in stock |
| P-865918908 | 95 | As is | 15 g |
| P-889592868 | 95 | As is | in stock |
| P-866715351 | 95 | As is | 1.75 g |
| P-893236636 | 95 | As is | in stock |
| P-1263292906 | 97 | As is | in stock |
| P-870653528 | N/A | As is | in stock |
| P-31177394 | 90 | As is | 500 mg |
| P-871074561 | 95 | As is | in stock |
| P-878644935 | 98 | As is | in stock |
| P-885560074 | 95 | As is | by synthesis |
| P-869120810 | 95 | As is | by synthesis |
| P-892289581 | 95 | As is | unavailable |
| P-888635557 | 95 | As is | 150 mg |
| P-611342868 | 90 | As is | in stock |
| P-611385416 | 90 | As is | in stock |
| P-904510743 | 95 | Main component as a main component | in stock |
| P-851476458 | N/A | Main component as a main component | by synthesis |
| P-864306367 | 95 | Main component as a main component | by synthesis |
| P-616195224 | 95 | Main component as a main component | by synthesis |
| P-906772610 | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 235.170 |
| logP | 2.4366 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 66.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.0335 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |
