Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1828296852-0
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 | 10 USD | 97 | 14 working days | Get Quote |
| 5 mg | 10 USD | 97 | 14 working days | Get Quote |
| 10 mg | 10 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-8119016764-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1828296852-0.sdf |
| SMILES | MCULE-1828296852-0.smiles |
| Standard InChI | MCULE-1828296852-0.inchi |
| InChIKey | MCULE-1828296852-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588769 | 97 | As is | in stock |
| P-875747976 | 97 | As is | in stock |
| P-1275199497 | 96 | As is | in stock |
| P-903078753 | 97 | As is | 300 g |
| P-1270348406 | 97 | As is | in stock |
| P-851936337 | N/A | As is | in stock |
| P-865910845 | 97 | As is | 400 g |
| P-1273369710 | 95 | As is | by resynthesis (? - ? days) |
| P-864208501 | 95 | As is | in stock |
| P-868619341 | 97 | As is | in stock |
| P-580401366 | 95 | As is | by resynthesis (? - ? days) |
| P-862082643 | 97 | As is | 400 g |
| P-596602787 | 90 | As is | 2.83 g |
| P-1272563538 | 97 | As is | 20 g |
| P-852380084 | 97 | As is | by synthesis |
| P-889868094 | 95 | As is | by synthesis |
| P-873227329 | 90 | As is | in stock |
| P-611558410 | 90 | As is | in stock |
| P-1271698995 | 97 | As is | in stock |
| P-886577663 | 95 | As a main component | in stock |
| P-889912010 | 95 | As a main component | by synthesis |
| P-903099487 | 95 | As a main component | 5 g |
| P-904741896 | N/A | As a main component | by synthesis |
| P-905522448 | 95 | As a main component | by synthesis |
| P-893869579 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 115.217 |
| logP | 2.177 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 38.5647 |
| Atoms | 25 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 17 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
