Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3688310273-0
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-3688310273-0.sdf |
| SMILES | MCULE-3688310273-0.smiles |
| Standard InChI | MCULE-3688310273-0.inchi |
| InChIKey | MCULE-3688310273-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578829 | 97 | As is | in stock |
| P-875738024 | 97 | As is | in stock |
| P-869188994 | 95 | As is | in stock |
| P-505393514 | 98 | As is | in stock |
| P-903068083 | 97 | As is | 400 g |
| P-905482104 | 98 | As is | 100 g |
| P-580241420 | 95 | As is | by synthesis |
| P-606878508 | N/A | As is | in stock |
| P-596951790 | 97 | As is | 400 g |
| P-494415503 | 95 | As is | by resynthesis (? - ? days) |
| P-864140754 | 98 | As is | in stock |
| P-580722318 | 97 | As is | 747 g |
| P-893227685 | 95 | As is | in stock |
| P-34883952 | 90 | As is | in stock |
| P-868600386 | 98 | As is | in stock |
| P-881677375 | N/A | As is | by resynthesis (? - ? days) |
| P-905340313 | 98 | As is | 63 g |
| P-861975764 | 98 | As is | 63 g |
| P-870655663 | N/A | As is | in stock |
| P-505528663 | 95 | As is | in stock |
| P-856009277 | 98 | As is | 100 mg |
| P-615644680 | 95 | As is | in stock |
| P-893278886 | 95 | As is | by resynthesis (? - ? days) |
| P-580509185 | N/A | As is | by synthesis |
| P-904067534 | 95 | As is | by synthesis |
| P-854691321 | 95 | As is | in stock |
| P-619673903 | 98 | As is | in stock |
| P-885541527 | 95 | As is | by synthesis |
| P-617403629 | N/A | As is | in stock |
| P-596767012 | 95 | As is | 1.282 kg |
| P-892273460 | 95 | As is | by synthesis |
| P-869178289 | 95 | As is | in stock |
| P-892298704 | 95 | As is | unavailable |
| P-892350091 | 95 | As is | 200 mg |
| P-502372950 | 90 | As is | in stock |
| P-888497156 | 94 | As is | by resynthesis (? - ? days) |
| P-906773281 | 98 | As is | by synthesis |
| P-611413201 | 90 | As is | in stock |
| P-615395254 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.168 |
| logP | 0.962 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 39.0466 |
| Atoms | 23 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
