Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5388481471
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-5388481471.sdf |
| SMILES | MCULE-5388481471.smiles |
| Standard InChI | MCULE-5388481471.inchi |
| InChIKey | MCULE-5388481471.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553039 | 98 | As is | in stock |
| P-875711244 | N/A | As is | in stock |
| P-597017885 | 95 | As is | in stock |
| P-881661233 | 95 | As is | in stock |
| P-590379511 | 98 | As is | in stock |
| P-903037698 | 98 | As is | 1.3 kg |
| P-606909655 | N/A | As is | in stock |
| P-596942193 | 98 | As is | 200 g |
| P-579789401 | 95 | As is | 700 g |
| P-864197945 | 95 | As is | in stock |
| P-893234386 | 95 | As is | in stock |
| P-454735345 | 90 | As is | in stock |
| P-436474195 | 95 | As is | 51 g |
| P-868607400 | 98 | As is | in stock |
| P-580291630 | N/A | As is | by resynthesis (? - ? days) |
| P-861975903 | 98 | As is | 2.21201 kg |
| P-505503798 | 95 | As is | in stock |
| P-596566370 | 97 | As is | 25 g |
| P-855994627 | 97 | As is | 100 mg |
| P-852533995 | N/A | As is | in stock |
| P-1263157013 | 95 | As is | by synthesis |
| P-869096636 | 95 | As is | in stock |
| P-608272981 | 98 | As is | in stock |
| P-500374197 | 98 | As is | by synthesis |
| P-885516504 | 95 | As is | by synthesis |
| P-869107991 | 95 | As is | by synthesis |
| P-892286630 | 95 | As is | 1.001 g |
| P-888627030 | 95 | As is | 1.001 g |
| P-502374720 | 90 | As is | in stock |
| P-22446762 | 90 | As is | 31 mg |
| P-893659325 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.299 |
| logP | 4.0414 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.56 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 69.5357 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
