Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8965879140-0
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 | 11 USD | 95 | 8 working days | Get Quote |
| 5 mg | 11 USD | 95 | 8 working days | Get Quote |
| 10 mg | 12 USD | N/A | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-8965879140-0.sdf |
| SMILES | MCULE-8965879140-0.smiles |
| Standard InChI | MCULE-8965879140-0.inchi |
| InChIKey | MCULE-8965879140-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867664442 | N/A | As is | in stock |
| P-901284705 | N/A | As is | in stock |
| P-1275185413 | 98 | As is | in stock |
| P-1275158817 | 95 | As is | in stock |
| P-1275180843 | 99 | As is | in stock |
| P-489143545 | 97 | As is | in stock |
| P-889740812 | 95 | As is | 504 g |
| P-901470005 | 95 | As is | by synthesis |
| P-893237144 | 95 | As is | in stock |
| P-868609009 | 98 | As is | in stock |
| P-889115150 | 95 | As is | 385 g |
| P-870662860 | 98 | As is | in stock |
| P-488553128 | 90 | As is | in stock |
| P-524164532 | 99 | As is | 1000 g |
| P-855992645 | 99 | As is | 100 mg |
| P-579616645 | 99 | As is | in stock |
| P-31201324 | 90 | As is | unavailable |
| P-856041718 | 90 | As is | unavailable |
| P-613284020 | 95 | As is | by synthesis |
| P-852523528 | 95 | As is | by synthesis |
| P-584625231 | 95 | As is | in stock |
| P-492279275 | 95 | As is | 4.998 g |
| P-26428425 | 90 | As is | 4.998 g |
| P-454370233 | 92 | As is | in stock |
| P-885516626 | 95 | As is | by synthesis |
| P-519886406 | 90 | As is | in stock |
| P-502352427 | 90 | As is | in stock |
| P-873005884 | 90 | As is | 100 mg |
| P-872978107 | 90 | As is | 10 mg |
| P-611519503 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.121 |
| logP | 1.2047 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 33.8525 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
