Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7224198077-2
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 | 19 USD | 90 | 21 working days | Get Quote |
| 5 mg | 26 USD | 90 | 21 working days | Get Quote |
| 10 mg | 32 USD | 90 | 21 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-7224198077-2.sdf |
| SMILES | MCULE-7224198077-2.smiles |
| Standard InChI | MCULE-7224198077-2.inchi |
| InChIKey | MCULE-7224198077-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886728125 | N/A | As is | in stock |
| P-890181880 | N/A | As is | in stock |
| P-903302583 | 97 | As is | 5 kg |
| P-893608555 | 90 | As is | 785.104 g |
| P-489158568 | 97 | As is | in stock |
| P-865931701 | 97 | As is | 94.75 g |
| P-1273269314 | 95 | As is | by resynthesis (? - ? days) |
| P-869389359 | 95 | As is | in stock |
| P-505576500 | 98 | As is | in stock |
| P-893620238 | 95 | As is | in stock |
| P-890209569 | 90 | As is | in stock |
| P-865984969 | 90 | As is | 3 g |
| P-890221553 | 90 | As is | in stock |
| P-579511921 | 90 | As is | 1000 mg |
| P-619673537 | 98 | As is | in stock |
| P-500405460 | 99 | As is | by synthesis |
| P-859981287 | 95 | As is | by synthesis |
| P-904253723 | 95 | As is | unavailable |
| P-904225667 | 95 | As is | 203 mg |
| P-594275273 | 95 | As is | 518 mg |
| P-904241244 | 95 | As is | 203 mg |
| P-873215831 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 255.660 |
| logP | 0.9755 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 86.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.2487 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
