Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6922552283-0
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 | 18 USD | N/A | 9 working days | Get Quote |
| 5 mg | 18 USD | N/A | 9 working days | Get Quote |
| 10 mg | 18 USD | N/A | 9 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.
-
1
MCULE-8001729011-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6922552283-0.sdf |
| SMILES | MCULE-6922552283-0.smiles |
| Standard InChI | MCULE-6922552283-0.inchi |
| InChIKey | MCULE-6922552283-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875712037 | 95 | As is | in stock |
| P-590390506 | 95 | As is | by resynthesis (? - ? days) |
| P-903038406 | 95 | As is | 10 g |
| P-893578597 | 90 | As is | 71.83 g |
| P-606926901 | N/A | As is | in stock |
| P-489227642 | 97 | As is | in stock |
| P-596942447 | 97 | As is | 20 g |
| P-895946780 | 95 | As is | by resynthesis (? - ? days) |
| P-864105896 | 95 | As is | in stock |
| P-890227395 | 95 | As is | by synthesis |
| P-861279510 | 95 | As is | in stock |
| P-868595495 | 95 | As is | in stock |
| P-861988249 | 97 | As is | 21.93 g |
| P-905338688 | 97 | As is | 2 g |
| P-454422968 | 95 | As is | 250 mg |
| P-579654236 | 95 | As is | by resynthesis (? - ? days) |
| P-1272582216 | 95 | As is | 100 mg |
| P-852445117 | 95 | As is | by synthesis |
| P-872795534 | 95 | As is | in stock |
| P-885532996 | 95 | As is | by synthesis |
| P-596780628 | 95 | As is | 0 mg |
| P-906807316 | 97 | As is | by synthesis |
| P-906789015 | 95 | As is | by synthesis |
| P-906828069 | 95 | As is | by synthesis |
| P-611583844 | 90 | As is | in stock |
| P-1271283296 | 95 | As is | by synthesis |
| P-580409549 | 95 | Main component | by resynthesis (? - ? days) |
| P-895868331 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 187.625 |
| logP | 1.9763 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 71.99 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.9581 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
