MCULE-6198986604
- 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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 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-6198986604.sdf |
| SMILES | MCULE-6198986604.smiles |
| Standard InChI | MCULE-6198986604.inchi |
| InChIKey | MCULE-6198986604.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867603325 | 95 | As is | in stock |
| P-875761694 | N/A | As is | in stock |
| P-535627303 | 95 | As is | in stock |
| P-505347427 | 98 | As is | in stock |
| P-903097009 | 99 | As is | 1.5 kg |
| P-1264056924 | 95 | As is | in stock |
| P-606938860 | N/A | As is | in stock |
| P-596959846 | 99 | As is | 1.5 kg |
| P-494335893 | 95 | As is | by resynthesis (? - ? days) |
| P-864146309 | 98 | As is | in stock |
| P-580701168 | 97 | As is | 740 g |
| P-901415792 | 95 | As is | by synthesis |
| P-868603135 | 98 | As is | in stock |
| P-896536221 | 95 | As is | 6 g |
| P-862128946 | 95 | As is | 49.024 g |
| P-856009151 | 98 | As is | 100 mg |
| P-580502710 | 96 | As is | by synthesis |
| P-904060350 | 95 | As is | by synthesis |
| P-854691190 | 95 | As is | in stock |
| P-619673290 | 98 | As is | in stock |
| P-885550676 | 95 | As is | by synthesis |
| P-605224070 | 90 | As is | in stock |
| P-617403632 | N/A | As is | in stock |
| P-896079419 | N/A | As is | 10.939 g |
| P-594274561 | 95 | As is | by synthesis |
| P-869177658 | 95 | As is | in stock |
| P-892296056 | 95 | As is | 1.002 g |
| P-892338445 | 95 | As is | 1.002 g |
| P-502372999 | 90 | As is | in stock |
| P-22530292 | 90 | As is | 1000 mg |
| P-906906063 | 98 | As is | in stock |
| P-596721404 | 90 | As is | 169 mg |
| P-575329543 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.124 |
| logP | -0.3634 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 111.9 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 36.2714 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

