MCULE-3322868006
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 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-3322868006.sdf |
| SMILES | MCULE-3322868006.smiles |
| Standard InChI | MCULE-3322868006.inchi |
| InChIKey | MCULE-3322868006.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558535 | 97 | As is | in stock |
| P-875717816 | N/A | As is | in stock |
| P-590390879 | 97 | As is | in stock |
| P-903046214 | 97 | As is | 50 g |
| P-610953473 | 90 | As is | 1.52431 kg |
| P-580241638 | 95 | As is | by synthesis |
| P-606905138 | N/A | As is | in stock |
| P-489125898 | 97 | As is | in stock |
| P-596944280 | 97 | As is | 300 g |
| P-872728147 | 98 | As is | in stock |
| P-494338777 | 95 | As is | by resynthesis (? - ? days) |
| P-864106119 | 95 | As is | in stock |
| P-580723060 | 97 | As is | 61.6 g |
| P-901462230 | 95 | As is | by synthesis |
| P-492259922 | 95 | As is | in stock |
| P-454764523 | 90 | As is | in stock |
| P-454661918 | 90 | As is | in stock |
| P-619826175 | 90 | As is | 58 mg |
| P-436475759 | 95 | As is | 25 g |
| P-851251154 | 95 | As is | by synthesis |
| P-868591896 | 98 | As is | in stock |
| P-278329325 | 90 | As is | by synthesis |
| P-580785350 | 90 | As is | by resynthesis (? - ? days) |
| P-580772752 | 90 | As is | in stock |
| P-580414771 | 95 | As is | by resynthesis (? - ? days) |
| P-905337413 | 95 | As is | 40 g |
| P-861986003 | 95 | As is | 329.233 g |
| P-675217232 | 95 | As is | in stock |
| P-454387766 | 95 | As is | 1000 mg |
| P-901145215 | 97 | As is | unavailable |
| P-580470268 | 95 | As is | by synthesis |
| P-852442163 | N/A | As is | in stock |
| P-904060316 | 95 | As is | by synthesis |
| P-854690517 | 95 | As is | in stock |
| P-888859259 | N/A | As is | in stock |
| P-500412062 | 95 | As is | by synthesis |
| P-491137160 | 95 | As is | by synthesis |
| P-424938403 | 90 | As is | in stock |
| P-613806672 | 95 | As is | in stock |
| P-498698299 | 97 | As is | 370.38 g |
| P-33472430 | 90 | As is | in stock |
| P-502375588 | 90 | As is | in stock |
| P-906781841 | 97 | As is | by synthesis |
| P-611366805 | 90 | As is | in stock |
| P-35146699 | 90 | As is | 154 mg |
| P-575299872 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 98.103 |
| logP | -0.098 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 48.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 24.7155 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

