MCULE-1805719896-0
- 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 | 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.
-
MCULE-2446182171-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1805719896-0.sdf |
| SMILES | MCULE-1805719896-0.smiles |
| Standard InChI | MCULE-1805719896-0.inchi |
| InChIKey | MCULE-1805719896-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852100151 | 95 | As is | by synthesis |
| P-889928624 | N/A | As is | by synthesis |
| P-615717343 | 95 | As is | in stock |
| P-851583685 | N/A | As is | by synthesis |
| P-901347195 | 95 | As is | by synthesis |
| P-590820492 | 95 | As is | by synthesis |
| P-454691353 | 90 | As is | in stock |
| P-436446074 | 95 | As is | 10 g |
| P-675063427 | 90 | As is | in stock |
| P-861538340 | 95 | As is | by synthesis |
| P-34793082 | 90 | As is | by synthesis |
| P-12565776 | 95 | As is | 58 mg |
| P-596590648 | 90 | As is | 5 g |
| P-852396747 | N/A | As is | in stock |
| P-854924985 | 95 | As is | by synthesis |
| P-885525678 | 95 | As is | by synthesis |
| P-23904005 | 90 | As is | in stock |
| P-873212737 | 90 | As is | in stock |
| P-22470164 | 90 | As is | 111 mg |
| P-855238303 | 90 | As is | in stock |
| P-1328401 | 90 | As is | 4.289 g |
| P-3235444 | 90 | As is | 4.289 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.342 |
| logP | 4.3888 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 90.2443 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

