Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3630578666-0
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 | 104 USD | 90 | 27 working days | Get Quote |
| 5 mg | 117 USD | 90 | 27 working days | Get Quote |
| 10 mg | 137 USD | 90 | 27 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-5938742686-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3630578666-0.sdf |
| SMILES | MCULE-3630578666-0.smiles |
| Standard InChI | MCULE-3630578666-0.inchi |
| InChIKey | MCULE-3630578666-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886535436 | 95 | As is | in stock |
| P-901256664 | N/A | As is | in stock |
| P-590384320 | 95 | As is | in stock |
| P-903039811 | 95 | As is | 1000 mg |
| P-589662181 | 95 | As is | by resynthesis (? - ? days) |
| P-889832906 | 95 | As is | by synthesis |
| P-868648830 | 95 | As is | in stock |
| P-675494264 | 95 | As is | in stock |
| P-563666540 | 95 | As is | 1000 mg |
| P-675100244 | 90 | As is | in stock |
| P-611582831 | 90 | As is | in stock |
| P-893760975 | 95 | As is | by synthesis |
| P-886657457 | 95 | Main component | in stock |
| P-860656622 | N/A | Main component | by synthesis |
| P-889960412 | N/A | Main component | by synthesis |
| P-869298839 | 95 | Main component | in stock |
| P-903220523 | 95 | Main component | 5 g |
| P-889833112 | 95 | Main component | by synthesis |
| P-901415064 | 95 | Main component | in stock |
| P-890215316 | 90 | Main component | 1000 mg |
| P-590337749 | 90 | Main component | 1000 mg |
| P-563664649 | 95 | Main component | 1000 mg |
| P-579654096 | 95 | Main component | by resynthesis (? - ? days) |
| P-491079327 | 95 | Main component | by synthesis |
| P-502375144 | 90 | Main component | in stock |
| P-611565898 | 90 | Main component | in stock |
| P-893789677 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 185.692 |
| logP | 3.6412 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.5014 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
