MCULE-8693718398
- 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 | 31 USD | 98 | 20 working days | Get Quote |
| 5 mg | 72 USD | 98 | 20 working days | Get Quote |
| 10 mg | 106 USD | N/A | 9 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-6776490263
- Component type: Main
-
MCULE-5146739135
- Component type: Main
-
MCULE-2532337856
- Component type: Main
-
MCULE-9987604026
- Component type: Main
-
MCULE-4210761173
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8693718398.sdf |
| SMILES | MCULE-8693718398.smiles |
| Standard InChI | MCULE-8693718398.inchi |
| InChIKey | MCULE-8693718398.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901268227 | N/A | As is | in stock |
| P-874633604 | N/A | As is | in stock |
| P-903133204 | 95 | As is | 200 mg |
| P-891655242 | N/A | As is | by synthesis |
| P-895098775 | 98 | As is | 200 mg |
| P-905554961 | 97 | As is | by synthesis |
| P-873243718 | 97 | As is | 10 mg |
| P-854721378 | 95 | As is | in stock |
| P-867680696 | 95 | As a main component | in stock |
| P-886797146 | 95 | As a main component | in stock |
| P-505394674 | 98 | As a main component | in stock |
| P-505401978 | 95 | As a main component | in stock |
| P-1264794624 | 95 | As a main component | 100 mg |
| P-1264722111 | 95 | As a main component | 100 mg |
| P-893606801 | 90 | As a main component | 4.445 g |
| P-891660870 | N/A | As a main component | by synthesis |
| P-905581250 | 95 | As a main component | by synthesis |
| P-901562936 | 95 | As a main component | by synthesis |
| P-524166762 | 98 | As a main component | 100 mg |
| P-895192045 | 95 | As a main component | by synthesis |
| P-872683589 | 95 | As a main component | in stock |
| P-584627071 | 95 | As a main component | in stock |
| P-888170006 | 98 | As a main component | by synthesis |
| P-893780266 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 313.233 |
| logP | 3.7389 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.8199 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

