MCULE-5160135747
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
- 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-5160135747.sdf |
| SMILES | MCULE-5160135747.smiles |
| Standard InChI | MCULE-5160135747.inchi |
| InChIKey | MCULE-5160135747.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574488 | 97 | As is | in stock |
| P-875734880 | N/A | As is | in stock |
| P-590393012 | 95 | As is | in stock |
| P-903064434 | 98 | As is | 500 g |
| P-905481035 | 97 | As is | 100 g |
| P-893520097 | 90 | As is | 1.34069 kg |
| P-606862176 | N/A | As is | in stock |
| P-489145787 | 97 | As is | in stock |
| P-596950681 | 97 | As is | 300 g |
| P-552039547 | 95 | As is | by resynthesis (? - ? days) |
| P-864092831 | 95 | As is | in stock |
| P-481166124 | 95 | As is | 159 g |
| P-580717988 | 97 | As is | 32 g |
| P-901545931 | 95 | As is | by synthesis |
| P-851302703 | 95 | As is | by synthesis |
| P-868645040 | 98 | As is | in stock |
| P-580430313 | 95 | As is | by resynthesis (? - ? days) |
| P-905315489 | 97 | As is | 552 g |
| P-861979601 | 97 | As is | 552 g |
| P-505541472 | 95 | As is | in stock |
| P-580046120 | 90 | As is | in stock |
| P-454302930 | 90 | As is | unavailable |
| P-608115111 | 95 | As is | 130 g |
| P-601045630 | 90 | As is | 435 mg |
| P-580510320 | 97 | As is | 29.6 g |
| P-852385767 | N/A | As is | in stock |
| P-519759032 | 97 | As is | 145.5 g |
| P-35278090 | 97 | As is | 145.5 kg |
| P-854740566 | 95 | As is | in stock |
| P-885542192 | 95 | As is | by synthesis |
| P-596764779 | 97 | As is | 262 g |
| P-502359895 | 90 | As is | in stock |
| P-906777394 | 98 | As is | by synthesis |
| P-611408503 | 90 | As is | in stock |
| P-615436218 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.231 |
| logP | 2.1392 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 41.99 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.7107 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

