Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3614553949
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 | 9 USD | 97 | 14 working days | Get Quote |
| 5 mg | 9 USD | 97 | 14 working days | Get Quote |
| 10 mg | 28 USD | 97 | 22 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-3614553949.sdf |
| SMILES | MCULE-3614553949.smiles |
| Standard InChI | MCULE-3614553949.inchi |
| InChIKey | MCULE-3614553949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679987 | 97 | As is | in stock |
| P-875858871 | 97 | As is | in stock |
| P-869352723 | 95 | As is | by resynthesis (? - ? days) |
| P-903312169 | 97 | As is | 10 g |
| P-1264058078 | 95 | As is | in stock |
| P-893543661 | 90 | As is | 23.285 g |
| P-1270354778 | 97 | As is | in stock |
| P-606888497 | N/A | As is | in stock |
| P-865932208 | 97 | As is | 10 g |
| P-1273454196 | 95 | As is | by resynthesis (? - ? days) |
| P-1273461437 | 95 | As is | by resynthesis (? - ? days) |
| P-889564005 | 95 | As is | in stock |
| P-606955990 | 97 | As is | 6.35 g |
| P-851265463 | 95 | As is | by synthesis |
| P-861380429 | 95 | As is | by synthesis |
| P-901392327 | 97 | As is | 10 g |
| P-855927558 | 97 | As is | 100 mg |
| P-854720597 | 95 | As is | in stock |
| P-896628466 | 95 | As is | by synthesis |
| P-872683277 | 95 | As is | in stock |
| P-888174742 | 98 | As is | by synthesis |
| P-1263957971 | 90 | As is | in stock |
| P-892298815 | 95 | As is | unavailable |
| P-869162992 | 95 | As is | 97 mg |
| P-888658434 | 95 | As is | 97 mg |
| P-906803256 | 97 | As is | by synthesis |
| P-611506232 | 90 | As is | in stock |
| P-1271671849 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 459.575 |
| logP | 6.0526 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 70.0 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 140.6461 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 33 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
