Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3614491496
Compound
Show structure
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 | 45 USD | 95 | 12 working days | Get Quote |
| 5 mg | 45 USD | 95 | 12 working days | Get Quote |
| 10 mg | 45 USD | 95 | 12 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.
| Name | File |
|---|---|
| SDF | MCULE-3614491496.sdf |
| SMILES | MCULE-3614491496.smiles |
| Standard InChI | MCULE-3614491496.inchi |
| InChIKey | MCULE-3614491496.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621945 | 95 | As is | in stock |
| P-875784184 | N/A | As is | in stock |
| P-595216922 | 95 | As is | in stock |
| P-903131588 | 97 | As is | 5 g |
| P-851594388 | N/A | As is | by synthesis |
| P-489146937 | 97 | As is | in stock |
| P-596343998 | 90 | As is | 205 mg |
| P-864087521 | 95 | As is | in stock |
| P-590949086 | 95 | As is | by synthesis |
| P-901540050 | 95 | As is | by synthesis |
| P-454722732 | 90 | As is | in stock |
| P-436465766 | 95 | As is | in stock |
| P-851243657 | 95 | As is | by synthesis |
| P-861551402 | 95 | As is | by synthesis |
| P-861972981 | 97 | As is | 5 g |
| P-505494980 | 95 | As is | in stock |
| P-563452406 | 95 | As is | 10 g |
| P-615655301 | 95 | As is | in stock |
| P-14064297 | 95 | As is | 17.505 g |
| P-601072701 | 90 | As is | 17.505 g |
| P-852446836 | N/A | As is | in stock |
| P-854769669 | 95 | As is | by synthesis |
| P-620218372 | 95 | As is | 1000 mg |
| P-619998867 | 90 | As is | 1000 mg |
| P-23336381 | 90 | As is | in stock |
| P-502352815 | 90 | As is | in stock |
| P-888361274 | 94 | As is | by resynthesis (? - ? days) |
| P-611485714 | 90 | As is | in stock |
| P-615416159 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.659 |
| logP | 2.3356 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.8497 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
