Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9039168640-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 62 USD | 95 | 7 working days | Get Quote |
| 10 mg | 98 USD | 95 | 7 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.
-
1
MCULE-7395483509-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9039168640-0.sdf |
| SMILES | MCULE-9039168640-0.smiles |
| Standard InChI | MCULE-9039168640-0.inchi |
| InChIKey | MCULE-9039168640-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867499702 | 98 | As is | by synthesis |
| P-851833477 | N/A | As is | by synthesis |
| P-872722969 | 98 | As is | in stock |
| P-580451093 | 98 | As is | in stock |
| P-611475996 | 90 | As is | in stock |
| P-893170983 | N/A | Main component | by synthesis |
| P-893184552 | N/A | Main component | by synthesis |
| P-851635450 | N/A | Main component | by synthesis |
| P-901416435 | 95 | Main component | by synthesis |
| P-887682402 | 95 | Main component | by synthesis |
| P-885558668 | 95 | Main component | by synthesis |
| P-869115658 | 95 | Main component | by synthesis |
| P-892266027 | 95 | Main component | by synthesis |
| P-888631465 | 95 | Main component | unavailable |
| P-892346312 | 95 | Main component | unavailable |
| P-611475995 | 90 | Main component | in stock |
| P-855021204 | 90 | Main component | in stock |
| P-852177203 | 98 | Main component as a main component | by synthesis |
| P-580291447 | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-560283818 | 90 | Main component as a main component | by synthesis |
| P-892219682 | 95 | Main component as a main component | by synthesis |
| P-892274030 | 95 | Main component as a main component | by synthesis |
| P-892299096 | 95 | Main component as a main component | unavailable |
| P-892288094 | 95 | Main component as a main component | unavailable |
| P-892350530 | 95 | Main component as a main component | 258 mg |
| P-892314223 | 95 | Main component as a main component | 15 mg |
| P-611475997 | 90 | Main component as a main component | in stock |
| P-868492565 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 252.266 |
| logP | 1.2508 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 99.52 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.8223 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
