Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8919459565
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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.
-
MCULE-4382042064
- Component type: Main
-
MCULE-2502001763
- Component type: Main
-
MCULE-5282367760
- Component type: Main
-
MCULE-6090765298
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8919459565.sdf |
| SMILES | MCULE-8919459565.smiles |
| Standard InChI | MCULE-8919459565.inchi |
| InChIKey | MCULE-8919459565.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892862673 | 97 | As is | in stock |
| P-890155939 | 97 | As is | in stock |
| P-613852743 | 98 | As is | by resynthesis (? - ? days) |
| P-893522560 | 90 | As is | 4.55 g |
| P-887202331 | 95 | As is | by synthesis |
| P-611498320 | 90 | As is | in stock |
| P-868496379 | 99 | As is | in stock |
| P-867541008 | 95 | As a main component | in stock |
| P-875697490 | 95 | As a main component | in stock |
| P-1275198500 | 98 | As a main component | in stock |
| P-1275150585 | 95 | As a main component | in stock |
| P-904496296 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903020076 | 97 | As a main component | 600 g |
| P-893550627 | 90 | As a main component | 1.39267 kg |
| P-1270319890 | 95 | As a main component | in stock |
| P-606847308 | N/A | As a main component | in stock |
| P-851571713 | N/A | As a main component | by synthesis |
| P-851731735 | N/A | As a main component | by synthesis |
| P-489224198 | 97 | As a main component | in stock |
| P-596938141 | 97 | As a main component | 400 g |
| P-1273449417 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864192558 | 95 | As a main component | in stock |
| P-590711852 | 95 | As a main component | 5 g |
| P-591088108 | 97 | As a main component | by synthesis |
| P-590813872 | 97 | As a main component | by synthesis |
| P-868571124 | 95 | As a main component | in stock |
| P-580295462 | 95 | As a main component | by resynthesis (? - ? days) |
| P-862014360 | 97 | As a main component | 592.67 g |
| P-1264346590 | 97 | As a main component | 6 g |
| P-855924223 | 95 | As a main component | 25 g |
| P-855397369 | 95 | As a main component | in stock |
| P-1263697449 | 95 | As a main component | by synthesis |
| P-895322501 | 95 | As a main component | by synthesis |
| P-895631342 | 95 | As a main component | by synthesis |
| P-904093294 | 97 | As a main component | 851.2 g |
| P-906783100 | 95 | As a main component | by synthesis |
| P-855360252 | 90 | As a main component | in stock |
| P-1271667202 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.300 |
| logP | 3.541 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 38.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.6951 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
