Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4615613520-0
Structure
Show compound
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 | 21 USD | 98 | 22 working days | Get Quote |
| 5 mg | 29 USD | 98 | 19 working days | Get Quote |
| 10 mg | 46 USD | 98 | 19 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.
-
MCULE-5800298669-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4615613520-0.sdf |
| SMILES | MCULE-4615613520-0.smiles |
| Standard InChI | MCULE-4615613520-0.inchi |
| InChIKey | MCULE-4615613520-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867658894 | 98 | As is | in stock |
| P-875827359 | 98 | As is | in stock |
| P-1275198584 | 98 | As is | in stock |
| P-580192507 | 98 | As is | in stock |
| P-1264046709 | 99 | As is | in stock |
| P-610970048 | 90 | As is | 29.337 g |
| P-1270315932 | 98 | As is | in stock |
| P-606911898 | N/A | As is | in stock |
| P-489144823 | 97 | As is | in stock |
| P-596971731 | 98 | As is | 1000 mg |
| P-605394415 | 95 | As is | by resynthesis (? - ? days) |
| P-1273454104 | 95 | As is | by resynthesis (? - ? days) |
| P-864113760 | 98 | As is | in stock |
| P-860053631 | 99 | As is | by synthesis |
| P-868543835 | 99 | As is | in stock |
| P-590612893 | 98 | As is | 386 mg |
| P-901462492 | 95 | As is | by synthesis |
| P-881634084 | 98 | As is | in stock |
| P-851242887 | 95 | As is | by synthesis |
| P-860797906 | 98 | As is | in stock |
| P-861490187 | 95 | As is | by synthesis |
| P-579478520 | 95 | As is | in stock |
| P-580288855 | N/A | As is | by resynthesis (? - ? days) |
| P-862014635 | 98 | As is | 1000 mg |
| P-500419313 | N/A | As is | in stock |
| P-505540398 | 95 | As is | in stock |
| P-1273108952 | 98 | As is | 100 mg |
| P-579693787 | 95 | As is | by resynthesis (? - ? days) |
| P-1272597094 | 95 | As is | 1000 mg |
| P-852520963 | 95 | As is | by synthesis |
| P-854718690 | 95 | As is | in stock |
| P-1263155721 | 95 | As is | by synthesis |
| P-474022330 | 95 | As is | in stock |
| P-608274010 | 98 | As is | in stock |
| P-500411279 | 97 | As is | by synthesis |
| P-579709799 | 98 | As is | in stock |
| P-892291954 | 95 | As is | unavailable |
| P-869131153 | 95 | As is | 51 mg |
| P-888642494 | 95 | As is | 51 mg |
| P-611492142 | 90 | As is | in stock |
| P-1271695825 | 98 | As is | in stock |
| P-905146387 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 478.657 |
| logP | 5.5017 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 50.36 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 100.0169 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
