Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7677425769-1
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 | 34 USD | 98 | 16 working days | Get Quote |
| 5 mg | 53 USD | 98 | 16 working days | Get Quote |
| 10 mg | 55 USD | 95 | 35 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-7677425769-1.sdf |
| SMILES | MCULE-7677425769-1.smiles |
| Standard InChI | MCULE-7677425769-1.inchi |
| InChIKey | MCULE-7677425769-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-674966815 | 60 | As is | by synthesis |
| P-901213940 | N/A | As is | by synthesis |
| P-597027293 | 95 | As is | in stock |
| P-907463724 | 90 | As is | 737 mg |
| P-856056122 | 95 | As is | by synthesis |
| P-899926515 | N/A | As is | by synthesis |
| P-864244239 | 95 | As is | by synthesis |
| P-901877154 | 95 | As is | by synthesis |
| P-871221956 | N/A | As is | by resynthesis (? - ? days) |
| P-893231019 | 95 | As is | in stock |
| P-893238969 | 95 | As is | in stock |
| P-578050754 | 98 | As is | in stock |
| P-861381738 | 95 | As is | by synthesis |
| P-579477756 | 95 | As is | in stock |
| P-873242214 | 97 | As is | 10 mg |
| P-579616737 | 50 | As is | 10 g |
| P-580509634 | 95 | As is | by synthesis |
| P-895175610 | 95 | As is | by synthesis |
| P-872674374 | 95 | As is | in stock |
| P-878644816 | 98 | As is | in stock |
| P-869165967 | 95 | As is | by synthesis |
| P-892305343 | 95 | As is | in stock |
| P-888660570 | 95 | As is | unavailable |
| P-873223185 | 90 | As is | in stock |
| P-855363597 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.123 |
| logP | -2.2777 |
| H-bond acceptors | 8 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 152.36 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 38.633 |
| Atoms | 22 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
