Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3920285817
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 67 USD | 92 | 15 working days | Get Quote |
| 10 mg | 89 USD | 90 | 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-3920285817.sdf |
| SMILES | MCULE-3920285817.smiles |
| Standard InChI | MCULE-3920285817.inchi |
| InChIKey | MCULE-3920285817.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872800919 | 95 | As is | by synthesis |
| P-1264918274 | 90 | As is | by synthesis |
| P-894657961 | 95 | As is | by resynthesis (? - ? days) |
| P-903131957 | 95 | As is | 1000 mg |
| P-851545953 | N/A | As is | by synthesis |
| P-590918566 | 95 | As is | by synthesis |
| P-893270094 | 95 | As is | by synthesis |
| P-5014420 | 90 | As is | 5 mg |
| P-454690191 | 90 | As is | in stock |
| P-584558420 | 90 | As is | 5 mg |
| P-205328 | 90 | As is | 1 mg |
| P-34796158 | 90 | As is | by synthesis |
| P-580774979 | 90 | As is | by resynthesis (? - ? days) |
| P-580764468 | 90 | As is | in stock |
| P-1275233791 | 90 | As is | in stock |
| P-12852413 | 92 | As is | 284 mg |
| P-580496423 | N/A | As is | by synthesis |
| P-852607134 | N/A | As is | by synthesis |
| P-854859937 | 95 | As is | by synthesis |
| P-596796534 | 95 | As is | by synthesis |
| P-23858576 | 90 | As is | in stock |
| P-33464924 | 90 | As is | in stock |
| P-502341574 | 90 | As is | in stock |
| P-25015207 | 90 | As is | 60 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 258.268 |
| logP | 2.9724 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.8723 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
