Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1868277109-1
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 | 13 USD | 96 | 11 working days | Get Quote |
| 5 mg | 13 USD | 96 | 11 working days | Get Quote |
| 10 mg | 13 USD | 96 | 11 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5038993745-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1868277109-1.sdf |
| SMILES | MCULE-1868277109-1.smiles |
| Standard InChI | MCULE-1868277109-1.inchi |
| InChIKey | MCULE-1868277109-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636511 | 96 | As is | in stock |
| P-875801887 | N/A | As is | in stock |
| P-590386179 | 98 | As is | in stock |
| P-896045700 | 95 | As is | by synthesis |
| P-893261729 | 95 | As is | by synthesis |
| P-616235280 | 90 | As is | 1 mg |
| P-868645129 | 96 | As is | in stock |
| P-34654928 | 90 | As is | by synthesis |
| P-580785286 | 90 | As is | by resynthesis (? - ? days) |
| P-580772684 | 90 | As is | in stock |
| P-500419635 | N/A | As is | in stock |
| P-505510606 | 95 | As is | in stock |
| P-856006157 | 98 | As is | 100 mg |
| P-856007383 | 95 | As is | 100 mg |
| P-524185631 | 95 | As is | 100 g |
| P-524167472 | 98 | As is | 100 g |
| P-579631519 | 98 | As is | by resynthesis (? - ? days) |
| P-856043180 | 90 | As is | 10 g |
| P-31179505 | 90 | As is | 10 g |
| P-854838706 | 95 | As is | by synthesis |
| P-500406662 | 98 | As is | by synthesis |
| P-885535903 | 95 | As is | by synthesis |
| P-896073468 | N/A | As is | 48.044 g |
| P-906767212 | 98 | As is | by synthesis |
| P-906829429 | 97 | As is | by synthesis |
| P-906772389 | 99 | As is | by synthesis |
| P-611455256 | 90 | As is | in stock |
| P-893670704 | 95 | As is | by synthesis |
| P-872835002 | 98 | Main component | in stock |
| P-875828434 | N/A | Main component | in stock |
| P-853441330 | 98 | Main component | in stock |
| P-903203004 | 98 | Main component | 1.25 g |
| P-489127567 | 97 | Main component | in stock |
| P-888822194 | 98 | Main component | 5 g |
| P-869383275 | 97 | Main component | in stock |
| P-454764510 | 90 | Main component | in stock |
| P-861487985 | 95 | Main component | by synthesis |
| P-870648195 | 98 | Main component | in stock |
| P-856005742 | 98 | Main component | 100 mg |
| P-524163619 | 98 | Main component | 100 g |
| P-856043179 | 90 | Main component | 10 g |
| P-31175378 | 90 | Main component | 10 g |
| P-885519774 | 95 | Main component | by synthesis |
| P-424839398 | 90 | Main component | in stock |
| P-893965233 | 95 | Main component | in stock |
| P-575328159 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 245.701 |
| logP | 2.3274 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 63.6164 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
