Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8423808046-0
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 | 95 USD | 95 | 22 working days | Get Quote |
| 5 mg | 418 USD | 95 | 22 working days | Get Quote |
| 10 mg | 592 USD | 95 | 22 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-3178068817-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8423808046-0.sdf |
| SMILES | MCULE-8423808046-0.smiles |
| Standard InChI | MCULE-8423808046-0.inchi |
| InChIKey | MCULE-8423808046-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867641467 | 95 | As is | in stock |
| P-852176517 | N/A | As is | by synthesis |
| P-867502564 | N/A | As is | by synthesis |
| P-875807656 | N/A | As is | in stock |
| P-869237834 | 95 | As is | in stock |
| P-869285222 | 95 | As is | in stock |
| P-903165032 | 98 | As is | 5 mg |
| P-489123408 | 97 | As is | in stock |
| P-881108510 | N/A | As is | 5 mg |
| P-872727874 | 98 | As is | in stock |
| P-889520498 | 95 | As is | by synthesis |
| P-893223846 | 95 | As is | in stock |
| P-904640919 | 95 | As is | by synthesis |
| P-863723458 | 95 | As is | in stock |
| P-474021828 | 95 | As is | in stock |
| P-611443224 | 90 | As is | in stock |
| P-872754843 | 95 | As is | in stock |
| P-892864246 | 99 | Main component | in stock |
| P-901272407 | N/A | Main component | in stock |
| P-903153100 | 99 | Main component | 10 mg |
| P-904320883 | 90 | Main component | 3.35 g |
| P-895100665 | 99 | Main component | 10 mg |
| P-887186391 | 95 | Main component | by synthesis |
| P-580391644 | N/A | Main component | by resynthesis (? - ? days) |
| P-873242750 | 97 | Main component | 5 mg |
| P-579664589 | 95 | Main component | by resynthesis (? - ? days) |
| P-872528806 | 95 | Main component | in stock |
| P-904368887 | 95 | Main component | in stock |
| P-869145553 | 95 | Main component | by synthesis |
| P-904248651 | 95 | Main component | unavailable |
| P-888648535 | 95 | Main component | 2 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 297.818 |
| logP | 4.6096 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 45.4 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 85.9545 |
| Atoms | 44 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
