Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5977061044
Compound
Show structure
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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.
| Name | File |
|---|---|
| SDF | MCULE-5977061044.sdf |
| SMILES | MCULE-5977061044.smiles |
| Standard InChI | MCULE-5977061044.inchi |
| InChIKey | MCULE-5977061044.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579722 | 98 | As is | in stock |
| P-875738732 | 98 | As is | in stock |
| P-597021084 | 95 | As is | unavailable |
| P-597023591 | 95 | As is | unavailable |
| P-590390440 | 95 | As is | by resynthesis (? - ? days) |
| P-903069301 | 98 | As is | 25 g |
| P-905478468 | 97 | As is | 10 g |
| P-610958921 | 90 | As is | 7.46283 kg |
| P-1270355813 | 98 | As is | in stock |
| P-580242647 | 95 | As is | by synthesis |
| P-617048591 | 95 | As is | by resynthesis (? - ? days) |
| P-606900346 | N/A | As is | in stock |
| P-489120953 | 97 | As is | in stock |
| P-596952153 | 96 | As is | 50 g |
| P-494350187 | 95 | As is | 419 mg |
| P-864091325 | 97 | As is | in stock |
| P-580733658 | 98 | As is | 142.25 g |
| P-893253167 | 95 | As is | by synthesis |
| P-505605259 | 95 | As is | by synthesis |
| P-851274012 | 95 | As is | by synthesis |
| P-861273758 | 95 | As is | in stock |
| P-868566939 | 98 | As is | in stock |
| P-580280052 | 95 | As is | by resynthesis (? - ? days) |
| P-905336868 | 96 | As is | 69 g |
| P-861984973 | 96 | As is | 781.732 g |
| P-871252495 | 90 | As is | 100 mg |
| P-890222993 | 90 | As is | in stock |
| P-505534458 | 95 | As is | in stock |
| P-454403092 | 95 | As is | 100 mg |
| P-454322781 | 95 | As is | 100 mg |
| P-579611861 | 95 | As is | in stock |
| P-613276458 | 95 | As is | by synthesis |
| P-580463341 | N/A | As is | by synthesis |
| P-1272579077 | 95 | As is | 200 g |
| P-852441025 | 95 | As is | by synthesis |
| P-854728065 | 95 | As is | in stock |
| P-888857917 | N/A | As is | in stock |
| P-613810978 | 95 | As is | in stock |
| P-498679058 | 97 | As is | 730.1 g |
| P-906764210 | 97 | As is | by synthesis |
| P-611386780 | 90 | As is | in stock |
| P-480945391 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 163.602 |
| logP | 2.8882 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.753 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
