Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5425940087-0
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 | 91 USD | 95 | 7 working days | Get Quote |
| 5 mg | 159 USD | 98 | 22 working days | Get Quote |
| 10 mg | 272 USD | 98 | 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-2503304153-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5425940087-0.sdf |
| SMILES | MCULE-5425940087-0.smiles |
| Standard InChI | MCULE-5425940087-0.inchi |
| InChIKey | MCULE-5425940087-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872828992 | 98 | As is | in stock |
| P-875777743 | N/A | As is | in stock |
| P-892792989 | 95 | As is | in stock |
| P-903120792 | 98 | As is | 4 mg |
| P-851928557 | N/A | As is | in stock |
| P-865915962 | 98 | As is | 4 mg |
| P-1263772928 | 95 | As is | by synthesis |
| P-873435958 | 98 | As is | 2 mg |
| P-901478119 | 95 | As is | by synthesis |
| P-861380142 | 95 | As is | by synthesis |
| P-608495646 | 95 | As is | in stock |
| P-873249840 | 97 | As is | 5 mg |
| P-854720981 | 95 | As is | in stock |
| P-888169433 | 98 | As is | by synthesis |
| P-889882070 | 95 | As is | by synthesis |
| P-869111471 | 95 | As is | by synthesis |
| P-888629377 | 95 | As is | unavailable |
| P-868528060 | 95 | As is | in stock |
| P-867612456 | 95 | Main component | in stock |
| P-875773098 | N/A | Main component | in stock |
| P-615716036 | 98 | Main component | in stock |
| P-903113835 | 95 | Main component | 50 mg |
| P-610973977 | 90 | Main component | 1.716 g |
| P-851907318 | N/A | Main component | by synthesis |
| P-895096458 | 97 | Main component | 10 mg |
| P-872722881 | 98 | Main component | in stock |
| P-889497624 | 95 | Main component | by synthesis |
| P-591154343 | 97 | Main component | by synthesis |
| P-579722121 | 95 | Main component | 1.47 g |
| P-860800392 | 98 | Main component | in stock |
| P-887198821 | 95 | Main component | by synthesis |
| P-608495647 | 95 | Main component | in stock |
| P-854621139 | 98 | Main component | in stock |
| P-868079132 | 95 | Main component | in stock |
| P-855965665 | 95 | Main component | 250 mg |
| P-852489955 | N/A | Main component | in stock |
| P-854719467 | 95 | Main component | in stock |
| P-871071814 | 95 | Main component | in stock |
| P-888168967 | 98 | Main component | by synthesis |
| P-869175167 | 95 | Main component | by synthesis |
| P-904255836 | 95 | Main component | unavailable |
| P-888664917 | 95 | Main component | 40 mg |
| P-886932285 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 507.992 |
| logP | 5.437 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 115.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 138.7877 |
| Atoms | 57 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 22 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
