MCULE-1755994558
- 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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 52 USD | 95 | 11 working days | Get Quote |
| 10 mg | 52 USD | 95 | 11 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.
-
MCULE-6964820830
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1755994558.sdf |
| SMILES | MCULE-1755994558.smiles |
| Standard InChI | MCULE-1755994558.inchi |
| InChIKey | MCULE-1755994558.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558602 | N/A | As is | in stock |
| P-875717973 | N/A | As is | in stock |
| P-597018358 | 95 | As is | in stock |
| P-615729040 | 95 | As is | in stock |
| P-869298103 | 95 | As is | in stock |
| P-903046657 | 97 | As is | 25 g |
| P-610975703 | 90 | As is | 71 g |
| P-489113971 | 97 | As is | in stock |
| P-873290323 | 97 | As is | 25 g |
| P-589653979 | 95 | As is | 44.5 g |
| P-889771358 | 97 | As is | in stock |
| P-504692574 | 85 | As is | 5 mg |
| P-454631916 | 90 | As is | in stock |
| P-449699932 | 90 | As is | 205.995 g |
| P-436441522 | 90 | As is | 70.07 g |
| P-198666 | 90 | As is | 990 mg |
| P-436452972 | 95 | As is | 25 g |
| P-578527226 | 90 | As is | in stock |
| P-868622696 | 95 | As is | in stock |
| P-34692289 | 90 | As is | by synthesis |
| P-580417776 | 95 | As is | by resynthesis (? - ? days) |
| P-569208227 | 90 | As is | in stock |
| P-569436150 | 95 | As is | 30.97 g |
| P-502476686 | 95 | As is | by synthesis |
| P-580044821 | 90 | As is | in stock |
| P-580006306 | 95 | As is | in stock |
| P-488544444 | 90 | As is | in stock |
| P-13746806 | 92 | As is | 300 mg |
| P-18807066 | 95 | As is | 2.092 g |
| P-563462252 | 97 | As is | 1000 mg |
| P-454400414 | 95 | As is | 2.092 g |
| P-588714450 | 95 | As is | 1000 mg |
| P-852406879 | N/A | As is | in stock |
| P-864060836 | 95 | As is | by synthesis |
| P-674921279 | 90 | As is | 30.97 g |
| P-620233797 | 95 | As is | 30.97 g |
| P-454364060 | 92 | As is | in stock |
| P-856065916 | 95 | As is | in stock |
| P-23897234 | 90 | As is | in stock |
| P-22592165 | 90 | As is | in stock |
| P-502336331 | 90 | As is | in stock |
| P-903966100 | 94 | As is | by resynthesis (? - ? days) |
| P-906868793 | 95 | As is | by synthesis |
| P-611372701 | 90 | As is | in stock |
| P-3229048 | 90 | As is | 1.019 g |
| P-1403127 | 90 | As is | 1.019 g |
| P-905624964 | 95 | As a main component | 100 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.188 |
| logP | 1.567 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 83.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.5242 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

