MCULE-8277888288-0
- 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 | 12 USD | N/A | 22 working days | Get Quote |
| 5 mg | 12 USD | N/A | 22 working days | Get Quote |
| 10 mg | 12 USD | N/A | 22 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-8277888288-0.sdf |
| SMILES | MCULE-8277888288-0.smiles |
| Standard InChI | MCULE-8277888288-0.inchi |
| InChIKey | MCULE-8277888288-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578802 | N/A | As is | in stock |
| P-875738482 | N/A | As is | in stock |
| P-617066306 | 98 | As is | in stock |
| P-489117106 | 97 | As is | in stock |
| P-494344493 | 95 | As is | 1.1916 kg |
| P-864093429 | 95 | As is | in stock |
| P-889738998 | 95 | As is | 650 g |
| P-893249038 | 95 | As is | by synthesis |
| P-454640493 | 90 | As is | in stock |
| P-448678435 | 90 | As is | 109.695 g |
| P-425207412 | 90 | As is | in stock |
| P-580425506 | 95 | As is | by resynthesis (? - ? days) |
| P-889110038 | 99 | As is | 1.592 kg |
| P-870655477 | N/A | As is | in stock |
| P-590342106 | 90 | As is | 13.87 g |
| P-503003008 | 90 | As is | in stock |
| P-488550469 | 90 | As is | in stock |
| P-454400851 | 97 | As is | 265 mg |
| P-454317013 | 97 | As is | 265 mg |
| P-579612713 | 98 | As is | in stock |
| P-856041376 | 90 | As is | 5 g |
| P-31274704 | 90 | As is | 5 g |
| P-613284138 | 95 | As is | by synthesis |
| P-580512042 | N/A | As is | in stock |
| P-1272564916 | 98 | As is | 1000 g |
| P-852383103 | 98 | As is | by synthesis |
| P-428093196 | 95 | As is | in stock |
| P-617707783 | 95 | As is | 94 mg |
| P-13045294 | 90 | As is | 94 mg |
| P-888904162 | N/A | As is | in stock |
| P-454368826 | 92 | As is | in stock |
| P-500406179 | 98 | As is | by synthesis |
| P-859995620 | 95 | As is | by synthesis |
| P-19185867 | 90 | As is | in stock |
| P-896077361 | N/A | As is | 2.724 g |
| P-502329759 | 90 | As is | in stock |
| P-903669911 | 94 | As is | by resynthesis (? - ? days) |
| P-906904013 | 99 | As is | in stock |
| P-611375062 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 94.115 |
| logP | 1.245 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 38.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 28.6414 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 6 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

