MCULE-8936829217
- 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 |
- 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-1823592180
- Component type: Main
-
MCULE-2433077785
- Component type: Main
-
MCULE-8870587617
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8936829217.sdf |
| SMILES | MCULE-8936829217.smiles |
| Standard InChI | MCULE-8936829217.inchi |
| InChIKey | MCULE-8936829217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893055909 | N/A | As is | by synthesis |
| P-596487437 | 90 | As is | unavailable |
| P-12417025 | 95 | As is | 300 mg |
| P-895869001 | 95 | As is | by synthesis |
| P-19038800 | 90 | As is | in stock |
| P-453233 | 90 | As is | 130 mg |
| P-867446123 | N/A | As a main component | by synthesis |
| P-892480347 | 90 | As a main component | 138 mg |
| P-4756051 | 90 | As a main component | 100 mg |
| P-675372553 | 90 | As a main component | in stock |
| P-854082672 | 95 | As a main component | 300 mg |
| P-35215169 | 95 | As a main component | 9.3 kg |
| P-895548558 | 95 | As a main component | by synthesis |
| P-26347476 | 90 | As a main component | 116 mg |
| P-13364125 | 92 | As a main component | 300 mg |
| P-18821094 | 90 | As a main component | in stock |
| P-903643071 | 94 | As a main component | by resynthesis (? - ? days) |
| P-2966483 | 90 | As a main component | 102 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.721 |
| logP | 2.2199 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 45.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 66.656 |
| Atoms | 24 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |

