Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6691766399-0
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 | 95 | 20 working days | Get Quote |
| 5 mg | 10 USD | 95 | 20 working days | Get Quote |
| 10 mg | 10 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6691766399-0.sdf |
| SMILES | MCULE-6691766399-0.smiles |
| Standard InChI | MCULE-6691766399-0.inchi |
| InChIKey | MCULE-6691766399-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867533516 | 95 | As is | in stock |
| P-875687835 | N/A | As is | in stock |
| P-590405595 | 95 | As is | in stock |
| P-903007906 | 98 | As is | 35 g |
| P-893508636 | 90 | As is | 88.392 g |
| P-606916241 | N/A | As is | in stock |
| P-489235569 | 97 | As is | in stock |
| P-596935369 | 95 | As is | 30 g |
| P-589663374 | 95 | As is | by resynthesis (? - ? days) |
| P-864159656 | 95 | As is | in stock |
| P-580705336 | 95 | As is | 6.35 g |
| P-901419060 | 95 | As is | by synthesis |
| P-454764201 | 90 | As is | in stock |
| P-851306742 | 95 | As is | by synthesis |
| P-868637233 | 95 | As is | in stock |
| P-34609558 | 90 | As is | by synthesis |
| P-580783853 | 90 | As is | by resynthesis (? - ? days) |
| P-580771528 | 90 | As is | in stock |
| P-862023461 | 95 | As is | 15.25 g |
| P-905344246 | 95 | As is | 15.25 g |
| P-13877286 | 90 | As is | in stock |
| P-524189402 | 95 | As is | 1000 mg |
| P-615652851 | 95 | As is | in stock |
| P-580485611 | N/A | As is | by synthesis |
| P-852401877 | N/A | As is | in stock |
| P-854751596 | 95 | As is | in stock |
| P-888893261 | N/A | As is | in stock |
| P-454373894 | 92 | As is | in stock |
| P-491136079 | 95 | As is | by synthesis |
| P-596787547 | 95 | As is | 12.7 g |
| P-33470996 | 90 | As is | in stock |
| P-502348115 | 90 | As is | in stock |
| P-903664816 | 94 | As is | by resynthesis (? - ? days) |
| P-611417618 | 90 | As is | in stock |
| P-611504188 | 90 | As is | in stock |
| P-893992028 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 138.167 |
| logP | 1.2765 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 34.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.4905 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
