Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5935535273-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-5935535273-0.sdf |
| SMILES | MCULE-5935535273-0.smiles |
| Standard InChI | MCULE-5935535273-0.inchi |
| InChIKey | MCULE-5935535273-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659175 | 98 | As is | in stock |
| P-875827676 | 95 | As is | in stock |
| P-1275188861 | 98 | As is | in stock |
| P-1275145913 | 95 | As is | in stock |
| P-903202301 | 98 | As is | 600 g |
| P-851932507 | N/A | As is | in stock |
| P-596985722 | 98 | As is | 200 g |
| P-895936833 | 95 | As is | by resynthesis (? - ? days) |
| P-1275478563 | 95 | As is | by synthesis |
| P-901455671 | 95 | As is | by synthesis |
| P-584544456 | 90 | As is | 5 mg |
| P-52561 | 90 | As is | 1.359 g |
| P-868614737 | 98 | As is | in stock |
| P-34662954 | 90 | As is | by synthesis |
| P-580418339 | 95 | As is | by resynthesis (? - ? days) |
| P-905340146 | 98 | As is | 250 g |
| P-862121720 | 98 | As is | 2.42364 kg |
| P-505503649 | 95 | As is | in stock |
| P-454417253 | 95 | As is | 997 mg |
| P-454352291 | 95 | As is | 997 mg |
| P-31138802 | 90 | As is | unavailable |
| P-1268136039 | 90 | As is | 188 mg |
| P-580466204 | 97 | As is | by synthesis |
| P-1272594543 | 95 | As is | 5 kg |
| P-852497023 | 95 | As is | by synthesis |
| P-428009586 | 95 | As is | in stock |
| P-854739330 | 95 | As is | in stock |
| P-889885031 | 95 | As is | by synthesis |
| P-24019698 | 90 | As is | in stock |
| P-1274330473 | 95 | As is | unavailable |
| P-1274339052 | 95 | As is | 5.045 g |
| P-1274350954 | 95 | As is | 4.944 g |
| P-22474226 | 90 | As is | 110 mg |
| P-611527224 | 90 | As is | in stock |
| P-2120464 | 90 | As is | 133 mg |
| P-1271670830 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.273 |
| logP | 3.249 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.053 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
