Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4118994673
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 | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 14 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-4118994673.sdf |
| SMILES | MCULE-4118994673.smiles |
| Standard InChI | MCULE-4118994673.inchi |
| InChIKey | MCULE-4118994673.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867539880 | 97 | As is | in stock |
| P-875696080 | N/A | As is | in stock |
| P-590361711 | 95 | As is | in stock |
| P-903018366 | 95 | As is | 35 g |
| P-893510965 | 90 | As is | 2.91957 kg |
| P-606835300 | N/A | As is | in stock |
| P-596937722 | 95 | As is | 30 g |
| P-494472619 | 95 | As is | by resynthesis (? - ? days) |
| P-864112170 | 98 | As is | in stock |
| P-580724295 | 97 | As is | 2.25 g |
| P-4147611 | 90 | As is | 100 mg |
| P-619933843 | 90 | As is | by synthesis |
| P-436449934 | 95 | As is | in stock |
| P-851299621 | 95 | As is | by synthesis |
| P-868620464 | 97 | As is | in stock |
| P-580784413 | 90 | As is | by resynthesis (? - ? days) |
| P-905347863 | 95 | As is | 32.25 g |
| P-862040255 | 95 | As is | 32.25 g |
| P-900327595 | 95 | As is | by synthesis |
| P-18807335 | 95 | As is | 1.143 g |
| P-454410934 | 95 | As is | 1.143 g |
| P-615657160 | 95 | As is | in stock |
| P-852404815 | N/A | As is | in stock |
| P-854749269 | 95 | As is | in stock |
| P-12478758 | 90 | As is | 4.406 g |
| P-492278254 | 95 | As is | 4.406 g |
| P-491136407 | 95 | As is | by synthesis |
| P-498723050 | 95 | As is | 37.5 g |
| P-33471571 | 90 | As is | in stock |
| P-502358177 | 90 | As is | in stock |
| P-906793032 | 97 | As is | by synthesis |
| P-611398040 | 90 | As is | in stock |
| P-615402465 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 225.165 |
| logP | 0.8098 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.4298 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
