Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3178546220
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-3178546220.sdf |
| SMILES | MCULE-3178546220.smiles |
| Standard InChI | MCULE-3178546220.inchi |
| InChIKey | MCULE-3178546220.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875705015 | N/A | As is | in stock |
| P-590383680 | 95 | As is | in stock |
| P-903030461 | 95 | As is | 5 g |
| P-606914716 | N/A | As is | in stock |
| P-489226442 | 97 | As is | in stock |
| P-888813938 | 95 | As is | 2 g |
| P-889780608 | 95 | As is | in stock |
| P-890245686 | 95 | As is | 3.325 g |
| P-454625749 | 90 | As is | in stock |
| P-454757599 | 90 | As is | in stock |
| P-607694879 | 90 | As is | 177.035 g |
| P-436467434 | 95 | As is | in stock |
| P-19873158 | 90 | As is | in stock |
| P-868647718 | 95 | As is | in stock |
| P-34459150 | 90 | As is | in stock |
| P-580777345 | 90 | As is | by resynthesis (? - ? days) |
| P-580766656 | 90 | As is | in stock |
| P-590338335 | 90 | As is | 1000 mg |
| P-890215901 | 90 | As is | in stock |
| P-502451706 | 95 | As is | by synthesis |
| P-502716324 | 90 | As is | in stock |
| P-492220001 | 95 | As is | in stock |
| P-488547974 | 90 | As is | in stock |
| P-13587945 | 95 | As is | 300 mg |
| P-855931802 | 95 | As is | 5 g |
| P-580483364 | N/A | As is | by synthesis |
| P-852392774 | N/A | As is | in stock |
| P-428072296 | 90 | As is | 169 g |
| P-854832508 | 95 | As is | by synthesis |
| P-454371125 | 92 | As is | in stock |
| P-13731112 | 92 | As is | 300 mg |
| P-596797247 | 95 | As is | by synthesis |
| P-18843129 | 90 | As is | in stock |
| P-33466400 | 90 | As is | in stock |
| P-502343252 | 90 | As is | in stock |
| P-903611066 | 94 | As is | by resynthesis (? - ? days) |
| P-875194498 | 90 | As is | 3 mg |
| P-875194017 | 90 | As is | 3 mg |
| P-875194792 | 90 | As is | 3 mg |
| P-906878289 | 95 | As is | by synthesis |
| P-855042565 | 90 | As is | in stock |
| P-3242192 | 90 | As is | 4.278 g |
| P-894001512 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.177 |
| logP | 0.63178 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 71.81 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.4914 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
