Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6917734027
Compound
Show structures
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-4632928782
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6917734027.sdf |
| SMILES | MCULE-6917734027.smiles |
| Standard InChI | MCULE-6917734027.inchi |
| InChIKey | MCULE-6917734027.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648823 | 99 | As is | in stock |
| P-875816770 | 99 | As is | in stock |
| P-595220908 | 98 | As is | by resynthesis (? - ? days) |
| P-851583611 | N/A | As is | by synthesis |
| P-865924216 | 99 | As is | 600 mg |
| P-905462993 | 95 | As is | in stock |
| P-904251895 | 95 | As is | unavailable |
| P-869162373 | 95 | As is | 7 mg |
| P-888657743 | 95 | As is | 6 mg |
| P-855349311 | 90 | As is | in stock |
| P-867552989 | 98 | As a main component | in stock |
| P-875711365 | 98 | As a main component | in stock |
| P-1275189889 | 98 | As a main component | in stock |
| P-1275158903 | 95 | As a main component | in stock |
| P-1270370390 | 98 | As a main component | in stock |
| P-851952018 | N/A | As a main component | in stock |
| P-596982158 | 98 | As a main component | 400 g |
| P-864198474 | 95 | As a main component | in stock |
| P-890849766 | 95 | As a main component | in stock |
| P-500405605 | 98 | As a main component | by synthesis |
| P-892289827 | 95 | As a main component | unavailable |
| P-869121509 | 95 | As a main component | 228 mg |
| P-888636142 | 95 | As a main component | 228 mg |
| P-1271680254 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 342.416 |
| logP | 2.7408 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 142.75 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 86.5305 |
| Atoms | 45 |
| Rings | 1 |
| Heavy atoms | 23 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
