MCULE-9297800072
- 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-9297800072.sdf |
| SMILES | MCULE-9297800072.smiles |
| Standard InChI | MCULE-9297800072.inchi |
| InChIKey | MCULE-9297800072.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867542548 | 98 | As is | in stock |
| P-875699278 | N/A | As is | in stock |
| P-597028450 | 98 | As is | in stock |
| P-869182187 | 95 | As is | in stock |
| P-590395765 | 98 | As is | in stock |
| P-903022509 | 98 | As is | 2 kg |
| P-580245814 | 95 | As is | by synthesis |
| P-606893137 | N/A | As is | in stock |
| P-596938652 | 98 | As is | 500 g |
| P-494419784 | 95 | As is | by resynthesis (? - ? days) |
| P-864092261 | 97 | As is | in stock |
| P-580707830 | 98 | As is | 191 g |
| P-619931182 | 90 | As is | by synthesis |
| P-34883955 | 90 | As is | in stock |
| P-851269387 | 95 | As is | by synthesis |
| P-868647103 | 98 | As is | in stock |
| P-889114028 | 97 | As is | 12.6 g |
| P-905336652 | 97 | As is | 65 g |
| P-855998059 | 97 | As is | 100 mg |
| P-454403864 | 97 | As is | 100 g |
| P-579637111 | 95 | As is | by resynthesis (? - ? days) |
| P-580473738 | N/A | As is | by synthesis |
| P-852424086 | N/A | As is | in stock |
| P-854732990 | 95 | As is | in stock |
| P-535646599 | N/A | As is | in stock |
| P-596758427 | 98 | As is | 282 g |
| P-873228130 | 90 | As is | in stock |
| P-888497157 | 94 | As is | by resynthesis (? - ? days) |
| P-611483003 | 90 | As is | in stock |
| P-886938832 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.591 |
| logP | 2.1611 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.3315 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

