MCULE-1030363494
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-1030363494.sdf |
| SMILES | MCULE-1030363494.smiles |
| Standard InChI | MCULE-1030363494.inchi |
| InChIKey | MCULE-1030363494.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852136870 | 95 | As is | by synthesis |
| P-901286391 | N/A | As is | in stock |
| P-869201731 | 95 | As is | in stock |
| P-851465818 | N/A | As is | by synthesis |
| P-901347235 | 95 | As is | by synthesis |
| P-590841739 | 95 | As is | by synthesis |
| P-504659905 | 85 | As is | 5 mg |
| P-454691516 | 90 | As is | in stock |
| P-436446127 | 95 | As is | 10 g |
| P-19949919 | 90 | As is | in stock |
| P-868635761 | 95 | As is | in stock |
| P-34456954 | 90 | As is | in stock |
| P-890203298 | 90 | As is | 1000 mg |
| P-890223697 | 90 | As is | in stock |
| P-502473248 | 95 | As is | by synthesis |
| P-596590747 | 90 | As is | 5 g |
| P-852396798 | N/A | As is | in stock |
| P-895518604 | 95 | As is | by synthesis |
| P-856063852 | 95 | As is | in stock |
| P-23814693 | 90 | As is | in stock |
| P-454157401 | 90 | As is | 3 mg |
| P-22856802 | 90 | As is | in stock |
| P-596710935 | 90 | As is | 5 mg |
| P-903633109 | 94 | As is | by resynthesis (? - ? days) |
| P-855301702 | 90 | As is | in stock |
| P-1343284 | 90 | As is | 2.46 g |
| P-3235669 | 90 | As is | 2.46 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 291.343 |
| logP | 4.4708 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 88.8773 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

