MCULE-1918979991
- 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 | 129 USD | 90 | 8 working days | Get Quote |
| 5 mg | 194 USD | 96 | 12 working days | Get Quote |
| 10 mg | 194 USD | 96 | 12 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-4652309276
- Component type: Main
-
MCULE-2860541448
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1918979991.sdf |
| SMILES | MCULE-1918979991.smiles |
| Standard InChI | MCULE-1918979991.inchi |
| InChIKey | MCULE-1918979991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852200674 | N/A | As is | by synthesis |
| P-851292545 | 95 | As is | by synthesis |
| P-500155186 | 96 | As is | in stock |
| P-864075168 | 95 | As is | by synthesis |
| P-491318613 | 95 | As is | by synthesis |
| P-667010541 | 95 | As is | in stock |
| P-886612636 | 95 | As a main component | in stock |
| P-852186157 | N/A | As a main component | by synthesis |
| P-889927958 | N/A | As a main component | by synthesis |
| P-869310348 | 95 | As a main component | in stock |
| P-903152054 | 95 | As a main component | 2.5 g |
| P-851751640 | N/A | As a main component | by synthesis |
| P-591028250 | 95 | As a main component | by synthesis |
| P-901494756 | 95 | As a main component | by synthesis |
| P-500155187 | 96 | As a main component | in stock |
| P-873242156 | 97 | As a main component | 10 mg |
| P-854937642 | 95 | As a main component | by synthesis |
| P-596714874 | 90 | As a main component | 15 mg |
| P-611592041 | 90 | As a main component | in stock |
| P-615462472 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 125.172 |
| logP | 0.9997 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 35.8751 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

