Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8468609722-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 59 USD | 95 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8468609722-0.sdf |
| SMILES | MCULE-8468609722-0.smiles |
| Standard InChI | MCULE-8468609722-0.inchi |
| InChIKey | MCULE-8468609722-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886542201 | 95 | As is | in stock |
| P-890143119 | N/A | As is | in stock |
| P-612939890 | 95 | As is | in stock |
| P-903049278 | 95 | As is | 10 g |
| P-893617588 | 90 | As is | 81.843 g |
| P-875904781 | N/A | As is | in stock |
| P-888814740 | 95 | As is | 10 g |
| P-596495944 | 90 | As is | 1000 mg |
| P-596441956 | 90 | As is | 1000 mg |
| P-889785058 | 95 | As is | in stock |
| P-873436573 | 95 | As is | 5.2 g |
| P-504706949 | 85 | As is | 5 mg |
| P-454684303 | 90 | As is | in stock |
| P-15147535 | 90 | As is | 17 mg |
| P-436442973 | 90 | As is | 102.495 g |
| P-313677 | 90 | As is | 843 mg |
| P-889037286 | 95 | As is | by synthesis |
| P-34721585 | 90 | As is | by synthesis |
| P-580787660 | 90 | As is | by resynthesis (? - ? days) |
| P-889379489 | 98 | As is | 2 g |
| P-852386548 | N/A | As is | in stock |
| P-864014348 | 95 | As is | by synthesis |
| P-888897299 | N/A | As is | in stock |
| P-491225626 | 95 | As is | by synthesis |
| P-24061193 | 90 | As is | in stock |
| P-33483526 | 90 | As is | in stock |
| P-502328375 | 90 | As is | in stock |
| P-903655196 | 94 | As is | by resynthesis (? - ? days) |
| P-22560191 | 90 | As is | 1 mg |
| P-906806950 | 95 | As is | by synthesis |
| P-611569614 | 90 | As is | in stock |
| P-2140574 | 90 | As is | 153 mg |
| P-893999992 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.140 |
| logP | -1.1323 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 66.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 38.7098 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
