Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6629056296
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 | 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 |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-7682114350
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6629056296.sdf |
| SMILES | MCULE-6629056296.smiles |
| Standard InChI | MCULE-6629056296.inchi |
| InChIKey | MCULE-6629056296.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-853431666 | 95 | As is | in stock |
| P-606895575 | N/A | As is | in stock |
| P-596969100 | 97 | As is | 800 g |
| P-889500482 | 95 | As is | by synthesis |
| P-864120722 | 95 | As is | in stock |
| P-580279811 | 95 | As is | by resynthesis (? - ? days) |
| P-867565930 | 98 | As a main component | in stock |
| P-875725779 | 98 | As a main component | in stock |
| P-580240083 | 95 | As a main component | by synthesis |
| P-606941644 | N/A | As a main component | in stock |
| P-596929177 | 98 | As a main component | 500 g |
| P-864107411 | 95 | As a main component | in stock |
| P-864140112 | 95 | As a main component | in stock |
| P-901467025 | 95 | As a main component | by synthesis |
| P-505527024 | 95 | As a main component | in stock |
| P-873222044 | 90 | As a main component | in stock |
| P-611390514 | 90 | As a main component | in stock |
| P-893896947 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 101.147 |
| logP | 0.5588 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 27.9042 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 11 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
