Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3449166328-0
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 | 11 USD | 97 | 20 working days | Get Quote |
| 5 mg | 11 USD | 97 | 20 working days | Get Quote |
| 10 mg | 11 USD | 97 | 20 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.
-
1
MCULE-3102997406-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3449166328-0.sdf |
| SMILES | MCULE-3449166328-0.smiles |
| Standard InChI | MCULE-3449166328-0.inchi |
| InChIKey | MCULE-3449166328-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886646993 | 95 | As is | in stock |
| P-901284023 | 95 | As is | in stock |
| P-874614133 | 98 | As is | by resynthesis (? - ? days) |
| P-904613079 | 95 | As is | by resynthesis (? - ? days) |
| P-903206774 | 95 | As is | 5 g |
| P-899946744 | N/A | As is | by synthesis |
| P-864252817 | 95 | As is | by synthesis |
| P-901900903 | 95 | As is | by synthesis |
| P-901485201 | 95 | As is | by synthesis |
| P-868585244 | 95 | As is | in stock |
| P-855957780 | 97 | As is | 100 mg |
| P-855943283 | 95 | As is | 1000 mg |
| P-855956701 | 97 | As is | 100 mg |
| P-895570239 | 95 | As is | by synthesis |
| P-579708339 | N/A | As is | in stock |
| P-893846186 | 95 | As is | by synthesis |
| P-867557477 | 98 | Main component | in stock |
| P-875716537 | 98 | Main component | in stock |
| P-579762452 | 98 | Main component | by resynthesis (? - ? days) |
| P-612943182 | 95 | Main component | by resynthesis (? - ? days) |
| P-903045372 | 98 | Main component | 3.925 kg |
| P-893484525 | 90 | Main component | 161.594 g |
| P-1270278536 | 98 | Main component | in stock |
| P-675221254 | 95 | Main component | by resynthesis (? - ? days) |
| P-606917841 | N/A | Main component | in stock |
| P-596982367 | 97 | Main component | 20 g |
| P-494322477 | 95 | Main component | 158.88 g |
| P-864088346 | 97 | Main component | in stock |
| P-605414085 | 98 | Main component | 1.35 g |
| P-577179399 | 90 | Main component | by synthesis |
| P-851287961 | 95 | Main component | by synthesis |
| P-868642552 | 97 | Main component | in stock |
| P-905347448 | 97 | Main component | 1000 mg |
| P-862035402 | 97 | Main component | 6.55059 kg |
| P-890209880 | 90 | Main component | in stock |
| P-579516068 | 90 | Main component | 50 g |
| P-502473038 | 95 | Main component | by synthesis |
| P-605334233 | 90 | Main component | in stock |
| P-454383664 | 95 | Main component | 3.481 g |
| P-905625747 | 98 | Main component | 100 mg |
| P-18802619 | 95 | Main component | 3.481 g |
| P-856076937 | 95 | Main component | in stock |
| P-1267087125 | 95 | Main component | 3.25 g |
| P-14062612 | 95 | Main component | 957 mg |
| P-601056712 | 90 | Main component | 957 mg |
| P-580515387 | 98 | Main component | in stock |
| P-852381348 | 98 | Main component | by synthesis |
| P-34052022 | 90 | Main component | 50 mg |
| P-859985194 | 95 | Main component | by synthesis |
| P-23845152 | 90 | Main component | in stock |
| P-502393549 | 90 | Main component | in stock |
| P-1272896939 | 94 | Main component | by resynthesis (? - ? days) |
| P-611376253 | 90 | Main component | in stock |
| P-464677744 | 90 | Main component | 10.003 g |
| P-3242639 | 90 | Main component | 10.003 g |
| P-701683 | 90 | Main component | 10.003 g |
| P-1271692569 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 205.612 |
| logP | 2.4124 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.6172 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
