MCULE-1109963029
- 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 | 15 USD | N/A | 9 working days | Get Quote |
| 5 mg | 15 USD | N/A | 9 working days | Get Quote |
| 10 mg | 15 USD | N/A | 9 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-1109963029.sdf |
| SMILES | MCULE-1109963029.smiles |
| Standard InChI | MCULE-1109963029.inchi |
| InChIKey | MCULE-1109963029.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893136694 | N/A | As is | by synthesis |
| P-867568406 | 95 | As is | in stock |
| P-875727790 | N/A | As is | in stock |
| P-505388998 | 99 | As is | in stock |
| P-505397417 | 97 | As is | in stock |
| P-903056979 | 96 | As is | 2 g |
| P-610959642 | 90 | As is | 46.979 g |
| P-489148507 | 97 | As is | in stock |
| P-865907707 | 96 | As is | 4 g |
| P-864109599 | 95 | As is | in stock |
| P-893251664 | 95 | As is | by synthesis |
| P-517098468 | 90 | As is | in stock |
| P-580439256 | 95 | As is | by resynthesis (? - ? days) |
| P-856045724 | 90 | As is | 2 g |
| P-31276633 | 90 | As is | 2 g |
| P-852458973 | N/A | As is | in stock |
| P-899993008 | 95 | As is | in stock |
| P-865621451 | 95 | As is | in stock |
| P-619673599 | 98 | As is | in stock |
| P-888876852 | N/A | As is | in stock |
| P-885560091 | 95 | As is | by synthesis |
| P-873284374 | N/A | As is | in stock |
| P-904258013 | 95 | As is | in stock |
| P-594275279 | 95 | As is | by synthesis |
| P-892298101 | 95 | As is | unavailable |
| P-888657989 | 95 | As is | 153 mg |
| P-502369106 | 90 | As is | in stock |
| P-888578387 | 94 | As is | by resynthesis (? - ? days) |
| P-611384497 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 252.308 |
| logP | 5.7372 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 87.652 |
| Atoms | 32 |
| Rings | 5 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| Heteroatoms | 0 |
| N/O atoms | 0 |
| 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 |

