Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6708682885
Compound
Show structure
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 | 17 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 22 working days | Get Quote |
| 10 mg | 58 USD | 98 | 22 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-6708682885.sdf |
| SMILES | MCULE-6708682885.smiles |
| Standard InChI | MCULE-6708682885.inchi |
| InChIKey | MCULE-6708682885.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678033 | 98 | As is | in stock |
| P-875855361 | N/A | As is | in stock |
| P-869367958 | 95 | As is | in stock |
| P-903298733 | 98 | As is | 100 mg |
| P-1264054760 | 95 | As is | in stock |
| P-606892909 | N/A | As is | in stock |
| P-868835283 | 98 | As is | 500 mg |
| P-872727802 | 98 | As is | in stock |
| P-904962246 | 95 | As is | in stock |
| P-605416358 | 98 | As is | 450 mg |
| P-901449478 | 95 | As is | by synthesis |
| P-851338797 | 95 | As is | by synthesis |
| P-861286086 | 98 | As is | in stock |
| P-861381612 | 95 | As is | by synthesis |
| P-579482448 | 95 | As is | in stock |
| P-868078530 | 95 | As is | in stock |
| P-855923767 | 97 | As is | 50 mg |
| P-854716457 | 95 | As is | in stock |
| P-584620026 | 95 | As is | in stock |
| P-888169165 | 98 | As is | by synthesis |
| P-617403973 | N/A | As is | in stock |
| P-611412689 | 90 | As is | in stock |
| P-611506286 | 90 | As is | in stock |
| P-590448020 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 328.326 |
| logP | 1.0966 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 107.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.8402 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| 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 |
