Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4484147396
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 95 | 14 working days | Get Quote |
| 10 mg | 58 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-4484147396.sdf |
| SMILES | MCULE-4484147396.smiles |
| Standard InChI | MCULE-4484147396.inchi |
| InChIKey | MCULE-4484147396.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892864209 | 95 | As is | in stock |
| P-901272389 | N/A | As is | in stock |
| P-615715676 | 95 | As is | in stock |
| P-903153771 | 97 | As is | 8 g |
| P-893580249 | 90 | As is | 16 g |
| P-851458077 | N/A | As is | by synthesis |
| P-865920601 | 97 | As is | 8 g |
| P-596384926 | 90 | As is | 35 mg |
| P-596513491 | 90 | As is | 35 mg |
| P-869390877 | 95 | As is | in stock |
| P-590814223 | 95 | As is | by synthesis |
| P-504731961 | 85 | As is | 5 mg |
| P-454754836 | 90 | As is | in stock |
| P-454693087 | 90 | As is | in stock |
| P-619848436 | 90 | As is | 84 mg |
| P-436446923 | 95 | As is | in stock |
| P-675051041 | 90 | As is | in stock |
| P-19918181 | 90 | As is | in stock |
| P-868634099 | 95 | As is | in stock |
| P-34801954 | 90 | As is | by synthesis |
| P-580775088 | 90 | As is | by resynthesis (? - ? days) |
| P-580764574 | 90 | As is | in stock |
| P-861930292 | 97 | As is | in stock |
| P-596589317 | 90 | As is | 1000 mg |
| P-580502826 | N/A | As is | by synthesis |
| P-852397281 | N/A | As is | in stock |
| P-1263158596 | 95 | As is | in stock |
| P-500394691 | 98 | As is | by synthesis |
| P-491127876 | 95 | As is | by synthesis |
| P-23881025 | 90 | As is | in stock |
| P-12534546 | 90 | As is | 98 mg |
| P-33464539 | 90 | As is | in stock |
| P-502333192 | 90 | As is | in stock |
| P-888437917 | 94 | As is | by resynthesis (? - ? days) |
| P-855229444 | 90 | As is | in stock |
| P-3231030 | 90 | As is | 554 mg |
| P-987255 | 90 | As is | 554 mg |
| P-872755037 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 270.322 |
| logP | 3.7035 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.2325 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
