Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5455479944
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 | 5 USD | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 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.
-
MCULE-7082026921
- Component type: Unknown
-
MCULE-6393454635
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5455479944.sdf |
| SMILES | MCULE-5455479944.smiles |
| Standard InChI | MCULE-5455479944.inchi |
| InChIKey | MCULE-5455479944.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576117 | 95 | As is | in stock |
| P-875736613 | N/A | As is | in stock |
| P-869185292 | 98 | As is | in stock |
| P-505351543 | 99 | As is | in stock |
| P-903066534 | 98 | As is | 6 kg |
| P-901168105 | 98 | As is | in stock |
| P-580198025 | 95 | As is | 200 g |
| P-606834672 | N/A | As is | in stock |
| P-489167657 | 97 | As is | in stock |
| P-596951323 | 98 | As is | 4 kg |
| P-494427021 | 95 | As is | by resynthesis (? - ? days) |
| P-864183838 | 95 | As is | in stock |
| P-893226249 | 95 | As is | in stock |
| P-448680098 | 90 | As is | 191 mg |
| P-425209923 | 90 | As is | in stock |
| P-612678500 | 90 | As is | in stock |
| P-851272119 | 95 | As is | by synthesis |
| P-580425137 | 95 | As is | by resynthesis (? - ? days) |
| P-870655668 | N/A | As is | in stock |
| P-505491877 | 95 | As is | in stock |
| P-502528379 | 95 | As is | by synthesis |
| P-488550846 | 90 | As is | in stock |
| P-855992314 | 98 | As is | 100 mg |
| P-524162841 | 98 | As is | 500 g |
| P-579624308 | 95 | As is | unavailable |
| P-31217087 | 90 | As is | unavailable |
| P-613284446 | 95 | As is | by synthesis |
| P-580463852 | N/A | As is | by synthesis |
| P-852442918 | N/A | As is | in stock |
| P-855402306 | 95 | As is | in stock |
| P-620240256 | 95 | As is | 1000 mg |
| P-13189568 | 90 | As is | 1000 mg |
| P-454372141 | 92 | As is | in stock |
| P-500404667 | 99 | As is | by synthesis |
| P-885516256 | 95 | As is | by synthesis |
| P-519848567 | 90 | As is | in stock |
| P-896073155 | N/A | As is | 42.957 g |
| P-596761009 | 95 | As is | 13.2262 kg |
| P-502329237 | 90 | As is | in stock |
| P-907301049 | 90 | As is | 96 mg |
| P-575297313 | 95 | As is | in stock |
| P-893165601 | N/A | As a main component | by synthesis |
| P-904558997 | 95 | As a main component | in stock |
| P-851540204 | N/A | As a main component | by synthesis |
| P-590800956 | 95 | As a main component | by synthesis |
| P-895252772 | 95 | As a main component | by synthesis |
| P-25596964 | 90 | As a component | 420 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 172.567 |
| logP | 2.9348 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 71.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.6784 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
