MCULE-7779384365-0
- 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-7779384365-0.sdf |
| SMILES | MCULE-7779384365-0.smiles |
| Standard InChI | MCULE-7779384365-0.inchi |
| InChIKey | MCULE-7779384365-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563600 | 97 | As is | in stock |
| P-1266090554 | 95 | As is | in stock |
| P-875722782 | 97 | As is | in stock |
| P-1265817640 | 95 | As is | in stock |
| P-1275145387 | 98 | As is | in stock |
| P-1275169230 | 99 | As is | in stock |
| P-903052090 | 98 | As is | 500 g |
| P-1264558555 | 95 | As is | 10 g |
| P-606943801 | N/A | As is | in stock |
| P-596945954 | 98 | As is | 1.5 kg |
| P-1271943725 | 95 | As is | 10 g |
| P-1273455098 | 95 | As is | by resynthesis (? - ? days) |
| P-589660404 | 95 | As is | by resynthesis (? - ? days) |
| P-864188124 | 95 | As is | in stock |
| P-893257867 | 95 | As is | by synthesis |
| P-868611812 | 95 | As is | in stock |
| P-905346525 | 98 | As is | 500 g |
| P-862031074 | 98 | As is | 8.87364 kg |
| P-855982615 | 97 | As is | 100 g |
| P-854691629 | 95 | As is | in stock |
| P-904067448 | 95 | As is | by synthesis |
| P-619673354 | 98 | As is | in stock |
| P-885537768 | 95 | As is | by synthesis |
| P-869177722 | 95 | As is | in stock |
| P-594274680 | 95 | As is | 1.006 g |
| P-892296155 | 95 | As is | 1.006 g |
| P-892338540 | 95 | As is | 1.006 g |
| P-873223146 | 90 | As is | in stock |
| P-1271689607 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.158 |
| logP | 1.5072 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.7278 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

