Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8977657816
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 | 75 USD | 95 | 8 working days | Get Quote |
| 5 mg | 75 USD | 95 | 8 working days | Get Quote |
| 10 mg | 75 USD | 95 | 8 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-1685678442
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8977657816.sdf |
| SMILES | MCULE-8977657816.smiles |
| Standard InChI | MCULE-8977657816.inchi |
| InChIKey | MCULE-8977657816.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875693946 | 95 | As a main component | in stock |
| P-590363893 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903015895 | 97 | As a main component | 5 g |
| P-893459072 | 90 | As a main component | 18.638 g |
| P-1270283517 | 95 | As a main component | in stock |
| P-606931935 | N/A | As a main component | in stock |
| P-596937155 | 97 | As a main component | 4 g |
| P-1273471680 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864172522 | 95 | As a main component | in stock |
| P-580711149 | 95 | As a main component | 6.35 g |
| P-861351517 | 95 | As a main component | by synthesis |
| P-1275223674 | 97 | As a main component | 1.25 g |
| P-862022390 | 97 | As a main component | 5.81 g |
| P-502581725 | 95 | As a main component | by synthesis |
| P-524194296 | 95 | As a main component | 100 mg |
| P-1267083437 | 95 | As a main component | 2.26 g |
| P-467970335 | 95 | As a main component | 203 mg |
| P-601064248 | 90 | As a main component | 203 mg |
| P-1272587089 | 95 | As a main component | 10 g |
| P-852462995 | 95 | As a main component | by synthesis |
| P-904073727 | 95 | As a main component | in stock |
| P-596769674 | 95 | As a main component | 7.7 g |
| P-906804002 | 97 | As a main component | by synthesis |
| P-855246930 | 90 | As a main component | in stock |
| P-1271705535 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.276 |
| logP | 2.06 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.9145 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 18 |
| 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 |
