Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6936464225-0
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 23 USD | 98 | 22 working days | Get Quote |
| 10 mg | 30 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-6936464225-0.sdf |
| SMILES | MCULE-6936464225-0.smiles |
| Standard InChI | MCULE-6936464225-0.inchi |
| InChIKey | MCULE-6936464225-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633666 | 98 | As is | in stock |
| P-875799069 | 98 | As is | in stock |
| P-853426703 | 95 | As is | by resynthesis (? - ? days) |
| P-881651972 | 98 | As is | in stock |
| P-903153886 | 98 | As is | 1000 mg |
| P-1264052523 | 98 | As is | in stock |
| P-893527418 | 90 | As is | 6.199 g |
| P-1270373368 | 98 | As is | in stock |
| P-606841490 | N/A | As is | in stock |
| P-865920620 | 98 | As is | 1000 mg |
| P-1273452996 | 95 | As is | by resynthesis (? - ? days) |
| P-1273457745 | 95 | As is | by resynthesis (? - ? days) |
| P-606955956 | 98 | As is | 3.358 g |
| P-861380970 | 95 | As is | by synthesis |
| P-901408665 | 98 | As is | 1000 mg |
| P-870660804 | N/A | As is | in stock |
| P-675216269 | 95 | As is | in stock |
| P-854716416 | 95 | As is | in stock |
| P-905146167 | 95 | As is | by synthesis |
| P-584615217 | 95 | As is | in stock |
| P-888172273 | 98 | As is | by synthesis |
| P-888840973 | N/A | As is | by synthesis |
| P-873284289 | N/A | As is | in stock |
| P-892299292 | 95 | As is | unavailable |
| P-869163340 | 95 | As is | 100 mg |
| P-888658711 | 95 | As is | 100 mg |
| P-855052318 | 90 | As is | in stock |
| P-855063148 | 90 | As is | in stock |
| P-1271700164 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.575 |
| logP | 6.0218 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 15 |
| PSA | 78.43 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 114.3352 |
| Atoms | 68 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 40 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
