MCULE-5478459845
- 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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
MCULE-4487058988
- Component type: Main
-
MCULE-5777063177
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5478459845.sdf |
| SMILES | MCULE-5478459845.smiles |
| Standard InChI | MCULE-5478459845.inchi |
| InChIKey | MCULE-5478459845.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578874 | 98 | As is | in stock |
| P-875738069 | N/A | As is | in stock |
| P-869187621 | 95 | As is | in stock |
| P-505390547 | 98 | As is | in stock |
| P-903068141 | 98 | As is | 1.5 kg |
| P-893519919 | 90 | As is | 8.04523 kg |
| P-580238389 | 95 | As is | by synthesis |
| P-606941832 | N/A | As is | in stock |
| P-596931093 | 98 | As is | 2 kg |
| P-872728173 | 98 | As is | in stock |
| P-494327132 | 95 | As is | by resynthesis (? - ? days) |
| P-869705582 | 90 | As is | 1000 mg |
| P-864091944 | 97 | As is | in stock |
| P-481166226 | 95 | As is | 5 g |
| P-893226513 | 95 | As is | in stock |
| P-454639835 | 90 | As is | in stock |
| P-436452214 | 95 | As is | 25 g |
| P-855881559 | 95 | As is | by synthesis |
| P-872785630 | 95 | As is | in stock |
| P-868577870 | 98 | As is | in stock |
| P-580290178 | N/A | As is | by resynthesis (? - ? days) |
| P-905333304 | 98 | As is | 56 g |
| P-870655488 | 98 | As is | in stock |
| P-502450394 | 95 | As is | by synthesis |
| P-492239621 | 95 | As is | in stock |
| P-488547385 | 90 | As is | in stock |
| P-454331266 | 95 | As is | 2.165 g |
| P-454407680 | 95 | As is | 2.165 g |
| P-579612904 | 98 | As is | 25 g |
| P-856041540 | 90 | As is | 10 g |
| P-31277177 | 90 | As is | 10 g |
| P-613283835 | 95 | As is | by synthesis |
| P-580517185 | 97 | As is | 1.302 kg |
| P-852383172 | N/A | As is | in stock |
| P-428078921 | 90 | As is | 1.844 kg |
| P-902984219 | 95 | As is | by synthesis |
| P-854713818 | 95 | As is | in stock |
| P-474020849 | 95 | As is | in stock |
| P-878641621 | 98 | As is | in stock |
| P-870975321 | 90 | As is | 260 mg |
| P-888867064 | N/A | As is | in stock |
| P-454367453 | 92 | As is | in stock |
| P-500382795 | 98 | As is | by synthesis |
| P-885518734 | 95 | As is | by synthesis |
| P-424838175 | 90 | As is | in stock |
| P-617402260 | N/A | As is | in stock |
| P-896082319 | N/A | As is | 87 mg |
| P-613814584 | 95 | As is | in stock |
| P-498720393 | 97 | As is | 47.2 g |
| P-869161081 | 95 | As is | by synthesis |
| P-892295087 | 95 | As is | unavailable |
| P-888656317 | 95 | As is | 201 mg |
| P-502329709 | 90 | As is | in stock |
| P-23193960 | 94 | As is | by resynthesis (? - ? days) |
| P-3230229 | 90 | As is | 686 mg |
| P-1576885 | 90 | As is | 686 mg |
| P-480953889 | 95 | As is | in stock |
| P-892945867 | N/A | As a main component | by synthesis |
| P-895881729 | 95 | As a main component | by synthesis |
| P-895207168 | 95 | As a main component | by synthesis |
| P-869161082 | 95 | As a main component | by synthesis |
| P-888656318 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 109.129 |
| logP | 1.4084 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 64.93 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 33.0458 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 7 |
| 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 |

