MCULE-1829098860
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-1829098860.sdf |
| SMILES | MCULE-1829098860.smiles |
| Standard InChI | MCULE-1829098860.inchi |
| InChIKey | MCULE-1829098860.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537370 | 98 | As is | in stock |
| P-875692790 | 98 | As is | in stock |
| P-890250782 | 97 | As is | by synthesis |
| P-597027995 | 98 | As is | unavailable |
| P-1275142639 | 97 | As is | in stock |
| P-903014495 | 98 | As is | 100 g |
| P-905480398 | 97 | As is | 10 g |
| P-610952863 | 90 | As is | 19.7809 kg |
| P-1268739076 | 95 | As is | in stock |
| P-580239333 | 95 | As is | by synthesis |
| P-893301220 | 95 | As is | in stock |
| P-606850823 | N/A | As is | in stock |
| P-489152788 | 97 | As is | in stock |
| P-596925991 | 98 | As is | 2 kg |
| P-494352031 | 95 | As is | 50 g |
| P-864097877 | 95 | As is | in stock |
| P-580704471 | 98 | As is | 172 g |
| P-893225581 | 95 | As is | in stock |
| P-851259546 | 95 | As is | by synthesis |
| P-861274032 | 95 | As is | in stock |
| P-868598552 | 97 | As is | in stock |
| P-868649174 | 97 | As is | in stock |
| P-580285223 | N/A | As is | by resynthesis (? - ? days) |
| P-905338736 | 95 | As is | 1.263 kg |
| P-861988328 | 95 | As is | 9.21927 kg |
| P-675215047 | 95 | As is | in stock |
| P-454380067 | 95 | As is | 1.457 g |
| P-18796277 | 95 | As is | 1.457 g |
| P-579623029 | 95 | As is | in stock |
| P-905059384 | 95 | As is | by synthesis |
| P-611662633 | 97 | As is | in stock |
| P-1272575812 | N/A | As is | 500 g |
| P-852427621 | N/A | As is | by synthesis |
| P-895171330 | 95 | As is | in stock |
| P-888857431 | N/A | As is | in stock |
| P-500410244 | 95 | As is | by synthesis |
| P-613814173 | 95 | As is | in stock |
| P-498672166 | 97 | As is | 7.027 kg |
| P-906781346 | 98 | As is | by synthesis |
| P-611366996 | 90 | As is | in stock |
| P-895017957 | 85 | As is | in stock |
| P-480942225 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 279.464 |
| logP | 2.2159 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.6157 |
| Atoms | 14 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 3 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

