Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1059139732-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-1059139732-0.sdf |
| SMILES | MCULE-1059139732-0.smiles |
| Standard InChI | MCULE-1059139732-0.inchi |
| InChIKey | MCULE-1059139732-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867561212 | 97 | As is | in stock |
| P-875721533 | 97 | As is | in stock |
| P-1275170461 | 97 | As is | in stock |
| P-903050894 | 97 | As is | 500 g |
| P-893555248 | 90 | As is | 2.05735 kg |
| P-1270384580 | 97 | As is | in stock |
| P-617064748 | 97 | As is | in stock |
| P-606931428 | N/A | As is | in stock |
| P-489181221 | 97 | As is | in stock |
| P-489244495 | 97 | As is | in stock |
| P-596927834 | 97 | As is | 500 g |
| P-889464942 | 98 | As is | by synthesis |
| P-893248093 | 95 | As is | by synthesis |
| P-868614252 | 97 | As is | in stock |
| P-580424594 | 95 | As is | by resynthesis (? - ? days) |
| P-889440146 | 96 | As is | 907.35 g |
| P-905361058 | 96 | As is | 60 g |
| P-524199035 | 95 | As is | 5 g |
| P-579625514 | 97 | As is | in stock |
| P-854737282 | 95 | As is | in stock |
| P-500408670 | 97 | As is | by synthesis |
| P-885534943 | 95 | As is | by synthesis |
| P-23114434 | 90 | As is | in stock |
| P-611611782 | 90 | As is | in stock |
| P-868494238 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.394 |
| logP | -0.0268 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 12.96 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 71.382 |
| Atoms | 46 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 30 |
| 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 |
