Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6963222936
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 | 39 USD | 92 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-6963222936.sdf |
| SMILES | MCULE-6963222936.smiles |
| Standard InChI | MCULE-6963222936.inchi |
| InChIKey | MCULE-6963222936.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867671404 | N/A | As is | in stock |
| P-875845502 | N/A | As is | in stock |
| P-869228424 | 95 | As is | in stock |
| P-851825112 | N/A | As is | by synthesis |
| P-596441120 | 90 | As is | 1000 mg |
| P-596495855 | 90 | As is | 1000 mg |
| P-889820931 | 95 | As is | by synthesis |
| P-591125417 | 95 | As is | by synthesis |
| P-901425094 | 95 | As is | by synthesis |
| P-454690180 | 90 | As is | in stock |
| P-607694737 | 90 | As is | 25 mg |
| P-34802082 | 90 | As is | in stock |
| P-580774976 | 90 | As is | by resynthesis (? - ? days) |
| P-580764465 | 90 | As is | in stock |
| P-889111062 | 95 | As is | 8 g |
| P-502530986 | 95 | As is | by synthesis |
| P-12831828 | 92 | As is | 238 mg |
| P-454343451 | 90 | As is | unavailable |
| P-580504357 | 95 | As is | by synthesis |
| P-852396311 | N/A | As is | in stock |
| P-854878935 | 95 | As is | by synthesis |
| P-885515707 | 95 | As is | by synthesis |
| P-23858559 | 90 | As is | in stock |
| P-896084356 | N/A | As is | unavailable |
| P-33464532 | 90 | As is | in stock |
| P-502333183 | 90 | As is | in stock |
| P-903655146 | 94 | As is | by resynthesis (? - ? days) |
| P-855215078 | 90 | As is | in stock |
| P-596528468 | 90 | As is | 1.011 g |
| P-25600372 | 90 | As is | 1.011 g |
| P-893728277 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.652 |
| logP | 2.283 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.9453 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
