Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5242025177
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 | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 14 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-5242025177.sdf |
| SMILES | MCULE-5242025177.smiles |
| Standard InChI | MCULE-5242025177.inchi |
| InChIKey | MCULE-5242025177.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565752 | 97 | As is | in stock |
| P-875725306 | N/A | As is | in stock |
| P-881662381 | 97 | As is | in stock |
| P-505347766 | 99 | As is | in stock |
| P-903054008 | 99 | As is | 39.7875 kg |
| P-580232921 | 95 | As is | by synthesis |
| P-872723561 | 98 | As is | in stock |
| P-579789290 | 95 | As is | 11.165 kg |
| P-864178035 | 95 | As is | in stock |
| P-893226487 | 95 | As is | in stock |
| P-580401919 | 95 | As is | by resynthesis (? - ? days) |
| P-905340301 | 98 | As is | 125 g |
| P-608220232 | 99 | As is | in stock |
| P-890849474 | 95 | As is | in stock |
| P-488550503 | 90 | As is | in stock |
| P-580093127 | N/A | As is | in stock |
| P-579614339 | 98 | As is | 5 kg |
| P-31249648 | 90 | As is | unavailable |
| P-613282654 | 95 | As is | by synthesis |
| P-580483650 | 98 | As is | by synthesis |
| P-852510064 | N/A | As is | in stock |
| P-1263158782 | 95 | As is | in stock |
| P-584617616 | 95 | As is | in stock |
| P-454368847 | 92 | As is | in stock |
| P-500403990 | 98 | As is | by synthesis |
| P-885524237 | 95 | As is | by synthesis |
| P-19776768 | 90 | As is | in stock |
| P-596767199 | 95 | As is | 1613.7 kg |
| P-869124938 | 95 | As is | by synthesis |
| P-904246903 | 95 | As is | unavailable |
| P-888638619 | 95 | As is | 4.07511 kg |
| P-502367296 | 90 | As is | in stock |
| P-33716632 | 94 | As is | by resynthesis (? - ? days) |
| P-611556546 | 90 | As is | in stock |
| P-3229118 | 90 | As is | 83 mg |
| P-2738685 | 90 | As is | 83 mg |
| P-480994505 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 206.327 |
| logP | 3.8257 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 24.72 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.433 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
