MCULE-1890857105-0
- 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 | 87 USD | 98 | 20 working days | Get Quote |
| 5 mg | 87 USD | 98 | 20 working days | Get Quote |
| 10 mg | 87 USD | 98 | 20 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-1890857105-0.sdf |
| SMILES | MCULE-1890857105-0.smiles |
| Standard InChI | MCULE-1890857105-0.inchi |
| InChIKey | MCULE-1890857105-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852195987 | 98 | As is | by synthesis |
| P-1268876006 | 98 | As is | by synthesis |
| P-903155110 | 98 | As is | 10 g |
| P-1270402885 | 98 | As is | in stock |
| P-1264207156 | N/A | As is | by synthesis |
| P-900247471 | 98 | As is | 10 g |
| P-1273409084 | 95 | As is | by resynthesis (? - ? days) |
| P-889789295 | 95 | As is | in stock |
| P-1264196490 | 98 | As is | by synthesis |
| P-1274920707 | 95 | As is | in stock |
| P-580438513 | 95 | As is | by resynthesis (? - ? days) |
| P-500246408 | N/A | As is | in stock |
| P-1274992927 | 95 | As is | by synthesis |
| P-906846846 | 98 | As is | by synthesis |
| P-855348432 | 90 | As is | in stock |
| P-1271701897 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 196.200 |
| logP | 2.9462 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.99 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| 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 |

