Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2136548876
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-7281457163
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2136548876.sdf |
| SMILES | MCULE-2136548876.smiles |
| Standard InChI | MCULE-2136548876.inchi |
| InChIKey | MCULE-2136548876.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867666755 | N/A | As is | in stock |
| P-875835025 | 98 | As is | in stock |
| P-1275153160 | 95 | As is | in stock |
| P-1275180743 | 99 | As is | in stock |
| P-1275176913 | 98 | As is | in stock |
| P-580193247 | 98 | As is | in stock |
| P-1264048374 | 99 | As is | in stock |
| P-1270329754 | 98 | As is | in stock |
| P-606839025 | N/A | As is | in stock |
| P-489107730 | 97 | As is | in stock |
| P-596973928 | 98 | As is | 800 g |
| P-1273453751 | 95 | As is | by resynthesis (? - ? days) |
| P-1273458928 | 95 | As is | by resynthesis (? - ? days) |
| P-864126353 | 97 | As is | in stock |
| P-580707760 | 98 | As is | 636 g |
| P-901519469 | 95 | As is | by synthesis |
| P-893235960 | 95 | As is | in stock |
| P-851268230 | 95 | As is | by synthesis |
| P-579476896 | 95 | As is | in stock |
| P-862013087 | 95 | As is | 1.75822 kg |
| P-505491657 | 95 | As is | in stock |
| P-524444087 | 97 | As is | 1.151 g |
| P-588252295 | N/A | As is | by synthesis |
| P-1272585599 | 95 | As is | 500 g |
| P-852459665 | 95 | As is | by synthesis |
| P-896628385 | 95 | As is | by synthesis |
| P-854719218 | 95 | As is | in stock |
| P-474026120 | 95 | As is | in stock |
| P-608276053 | 98 | As is | in stock |
| P-500406262 | 98 | As is | by synthesis |
| P-1263956286 | 90 | As is | in stock |
| P-1263958473 | 90 | As is | in stock |
| P-889872117 | 95 | As is | by synthesis |
| P-579710584 | 98 | As is | in stock |
| P-892286796 | 95 | As is | unavailable |
| P-869108125 | 95 | As is | 353 mg |
| P-888627165 | 95 | As is | 230 mg |
| P-906775147 | 98 | As is | by synthesis |
| P-611443781 | 90 | As is | in stock |
| P-1271691976 | 98 | As is | in stock |
| P-904598496 | 95 | As a main component | by resynthesis (? - ? days) |
| P-851646919 | N/A | As a main component | by synthesis |
| P-590866432 | 95 | As a main component | by synthesis |
| P-895758149 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.710 |
| logP | 3.6862 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 77.82 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.0598 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| 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 |
