Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3378984503-0
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 | 33 USD | 95 | 7 working days | Get Quote |
| 5 mg | 55 USD | 98 | 22 working days | Get Quote |
| 10 mg | 95 USD | 98 | 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-3378984503-0.sdf |
| SMILES | MCULE-3378984503-0.smiles |
| Standard InChI | MCULE-3378984503-0.inchi |
| InChIKey | MCULE-3378984503-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892858789 | N/A | As is | in stock |
| P-890150784 | N/A | As is | in stock |
| P-1264051669 | 98 | As is | in stock |
| P-893606564 | 90 | As is | 2.93 g |
| P-1270298946 | 97 | As is | in stock |
| P-901179433 | N/A | As is | in stock |
| P-875889838 | 97 | As is | 250 mg |
| P-1273474445 | 95 | As is | by resynthesis (? - ? days) |
| P-904963242 | 95 | As is | in stock |
| P-901918234 | 97 | As is | 1.065 g |
| P-901536930 | 95 | As is | by synthesis |
| P-887324365 | 95 | As is | by synthesis |
| P-868659970 | 95 | As is | in stock |
| P-854622097 | 98 | As is | in stock |
| P-1273110475 | 95 | As is | 100 mg |
| P-1268711666 | 95 | As is | by synthesis |
| P-854718760 | 95 | As is | in stock |
| P-474020437 | 95 | As is | in stock |
| P-888173984 | 98 | As is | by synthesis |
| P-892291468 | 95 | As is | unavailable |
| P-869127402 | 95 | As is | 192 mg |
| P-888640520 | 95 | As is | 192 mg |
| P-1271699456 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 355.184 |
| logP | 3.5584 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 54.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 95.5117 |
| Atoms | 33 |
| Rings | 4 |
| Heavy atoms | 22 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
