MCULE-1330860335
- 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 | 29 USD | 98 | 22 working days | Get Quote |
| 5 mg | 36 USD | 95 | 14 working days | Get Quote |
| 10 mg | 43 USD | 95 | 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.
-
MCULE-1426766455
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1330860335.sdf |
| SMILES | MCULE-1330860335.smiles |
| Standard InChI | MCULE-1330860335.inchi |
| InChIKey | MCULE-1330860335.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901321287 | N/A | As is | in stock |
| P-901185276 | N/A | As is | by synthesis |
| P-903461713 | 97 | As is | 250 mg |
| P-903046583 | 95 | As is | 200 mg |
| P-890242598 | 97 | As is | 499 mg |
| P-890236411 | 95 | As is | by synthesis |
| P-1263258911 | 95 | As is | by synthesis |
| P-901578271 | 95 | As is | by synthesis |
| P-875778507 | N/A | As a main component | in stock |
| P-903122441 | 95 | As a main component | 500 mg |
| P-1264057353 | 95 | As a main component | in stock |
| P-666962047 | 98 | As a main component | 1.032 g |
| P-887192950 | 95 | As a main component | by synthesis |
| P-608495754 | 95 | As a main component | in stock |
| P-854717901 | 95 | As a main component | in stock |
| P-872670905 | 95 | As a main component | in stock |
| P-888169285 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 362.467 |
| logP | 4.2454 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 50.28 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 112.8297 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 26 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

