Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2193145202
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-2193145202.sdf |
| SMILES | MCULE-2193145202.smiles |
| Standard InChI | MCULE-2193145202.inchi |
| InChIKey | MCULE-2193145202.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564262 | 98 | As is | in stock |
| P-875723267 | 98 | As is | in stock |
| P-1275183014 | 95 | As is | in stock |
| P-1275186930 | 98 | As is | in stock |
| P-903052990 | 98 | As is | 710 g |
| P-1270343584 | 98 | As is | in stock |
| P-606930487 | N/A | As is | in stock |
| P-489178525 | 97 | As is | in stock |
| P-596987464 | 98 | As is | 710 g |
| P-494320156 | 95 | As is | 321 g |
| P-864141178 | 98 | As is | in stock |
| P-580735209 | 98 | As is | 110 g |
| P-4208162 | 90 | As is | 1 mg |
| P-851273641 | 95 | As is | by synthesis |
| P-868584090 | 97 | As is | in stock |
| P-580405909 | 95 | As is | by resynthesis (? - ? days) |
| P-861922073 | 97 | As is | 5.33898 kg |
| P-905328517 | 97 | As is | 410 g |
| P-494300573 | 98 | As is | in stock |
| P-579525758 | 90 | As is | 10 mg |
| P-502467038 | 95 | As is | by synthesis |
| P-454351260 | 90 | As is | 100 mg |
| P-889738004 | 95 | As is | in stock |
| P-31187293 | 90 | As is | unavailable |
| P-14054996 | 95 | As is | 9.917 g |
| P-601058979 | 90 | As is | 9.917 g |
| P-1272561790 | 97 | As is | 1000 g |
| P-852377408 | 97 | As is | by synthesis |
| P-854744767 | 95 | As is | in stock |
| P-13124923 | 90 | As is | 83 mg |
| P-500371308 | 98 | As is | by synthesis |
| P-885516483 | 95 | As is | by synthesis |
| P-18852655 | 90 | As is | in stock |
| P-1274331903 | 95 | As is | unavailable |
| P-1274340471 | 95 | As is | 4.873 g |
| P-1274352373 | 95 | As is | 4.873 g |
| P-502332682 | 90 | As is | in stock |
| P-611374419 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.183 |
| logP | 2.2542 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 68.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 37.3944 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
