Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4595932011
Compound
Show structures
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 | 40 USD | 98 | 20 working days | Get Quote |
| 5 mg | 40 USD | 98 | 20 working days | Get Quote |
| 10 mg | 40 USD | 98 | 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-9334168383
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4595932011.sdf |
| SMILES | MCULE-4595932011.smiles |
| Standard InChI | MCULE-4595932011.inchi |
| InChIKey | MCULE-4595932011.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-904577693 | 95 | As is | by resynthesis (? - ? days) |
| P-851413028 | N/A | As is | by synthesis |
| P-864229841 | 95 | As is | by synthesis |
| P-590735406 | 95 | As is | by synthesis |
| P-895608607 | 95 | As is | by synthesis |
| P-611574922 | 90 | As is | in stock |
| P-867554922 | 98 | Main component | in stock |
| P-875713736 | 98 | Main component | in stock |
| P-597028031 | 97 | Main component | unavailable |
| P-590390487 | 98 | Main component | by resynthesis (? - ? days) |
| P-903040872 | 98 | Main component | 15 g |
| P-893616500 | 90 | Main component | 52.75 g |
| P-1270276894 | 98 | Main component | in stock |
| P-606918452 | N/A | Main component | in stock |
| P-596943008 | 98 | Main component | 15 g |
| P-864104835 | 95 | Main component | in stock |
| P-580696964 | 98 | Main component | 750 mg |
| P-893232906 | 95 | Main component | in stock |
| P-878236006 | 95 | Main component | by synthesis |
| P-861984932 | 95 | Main component | 20.75 g |
| P-870659118 | N/A | Main component | in stock |
| P-454413482 | 95 | Main component | 417 mg |
| P-596547182 | 95 | Main component | 417 mg |
| P-904259735 | 95 | Main component | in stock |
| P-580460862 | N/A | Main component | by synthesis |
| P-1272579056 | 95 | Main component | 5 g |
| P-852440987 | 95 | Main component | by synthesis |
| P-1272504174 | 95 | Main component | in stock |
| P-885539874 | 95 | Main component | by synthesis |
| P-596779322 | 95 | Main component | 13.7 g |
| P-22530205 | 90 | Main component | 211 mg |
| P-611430548 | 90 | Main component | in stock |
| P-611439923 | 90 | Main component | in stock |
| P-1271704925 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 170.598 |
| logP | 1.4633 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 54.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.6147 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
