Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4562772399
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 | 24 USD | 95 | 8 working days | Get Quote |
| 5 mg | 24 USD | 95 | 8 working days | Get Quote |
| 10 mg | 24 USD | 95 | 8 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-1288974367
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4562772399.sdf |
| SMILES | MCULE-4562772399.smiles |
| Standard InChI | MCULE-4562772399.inchi |
| InChIKey | MCULE-4562772399.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633333 | 96 | As is | in stock |
| P-875797933 | 96 | As is | in stock |
| P-597017167 | 95 | As is | unavailable |
| P-590402155 | 95 | As is | by resynthesis (? - ? days) |
| P-903153052 | 97 | As is | 20 g |
| P-610958559 | 90 | As is | 585.05 g |
| P-1270378651 | 96 | As is | in stock |
| P-617045649 | 95 | As is | by resynthesis (? - ? days) |
| P-606861826 | N/A | As is | in stock |
| P-489126367 | 97 | As is | in stock |
| P-596967002 | 96 | As is | 20 g |
| P-494351455 | 95 | As is | 80 mg |
| P-864110522 | 97 | As is | in stock |
| P-481168481 | 95 | As is | 13.5 g |
| P-584629340 | 96 | As is | 250 mg |
| P-492249082 | 95 | As is | in stock |
| P-872447289 | 90 | As is | 50 mg |
| P-851297987 | 95 | As is | by synthesis |
| P-868597933 | 95 | As is | in stock |
| P-580280983 | 95 | As is | by resynthesis (? - ? days) |
| P-861982630 | 96 | As is | 25 g |
| P-890211080 | 90 | As is | in stock |
| P-579522240 | 90 | As is | 1 mg |
| P-500152835 | 96 | As is | in stock |
| P-454391127 | 95 | As is | 579 mg |
| P-454296096 | 95 | As is | 579 mg |
| P-580499072 | N/A | As is | by synthesis |
| P-1272577789 | 95 | As is | 250 mg |
| P-852437866 | 95 | As is | by synthesis |
| P-519752820 | 97 | As is | in stock |
| P-428012533 | 97 | As is | in stock |
| P-1274984459 | 95 | As is | in stock |
| P-888839285 | N/A | As is | by synthesis |
| P-885520347 | 95 | As is | by synthesis |
| P-613810327 | 95 | As is | in stock |
| P-498703838 | 97 | As is | 13.6 g |
| P-1274331478 | 95 | As is | unavailable |
| P-1274340045 | 95 | As is | 76 mg |
| P-1274351947 | 95 | As is | 76 mg |
| P-502360560 | 90 | As is | in stock |
| P-906784021 | 97 | As is | by synthesis |
| P-611476192 | 90 | As is | in stock |
| P-1271727446 | 95 | As is | in stock |
| P-886645763 | 95 | As a main component | in stock |
| P-901284004 | 95 | As a main component | in stock |
| P-613855229 | 98 | As a main component | by resynthesis (? - ? days) |
| P-903206167 | 95 | As a main component | 5 g |
| P-851599612 | N/A | As a main component | by synthesis |
| P-864218066 | 95 | As a main component | by synthesis |
| P-590831434 | 95 | As a main component | by synthesis |
| P-901449812 | 95 | As a main component | by synthesis |
| P-868623420 | 95 | As a main component | in stock |
| P-854779512 | 95 | As a main component | by synthesis |
| P-611572751 | 90 | As a main component | in stock |
| P-893648406 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 129.200 |
| logP | 1.0233 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.5357 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| 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 |
