MCULE-5830857858
- 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 | 47 USD | 90 | 8 working days | Get Quote |
5 mg | 80 USD | 90 | 21 working days | Get Quote |
10 mg | 96 USD | 90 | 21 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-2733691523
- Component type: Main
-
MCULE-2181330564
- Component type: Main
-
MCULE-5292623328
- Component type: Main
-
MCULE-6717041297
- Component type: Main
-
MCULE-7618371069
- Component type: Main
-
MCULE-2768748461
- Component type: Main
-
MCULE-2435770814
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5830857858.sdf |
SMILES | MCULE-5830857858.smiles |
Standard InChI | MCULE-5830857858.inchi |
InChIKey | MCULE-5830857858.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867623326 | 98 | As is | in stock |
P-875785988 | N/A | As is | in stock |
P-579760540 | 98 | As is | in stock |
P-869267215 | 95 | As is | in stock |
P-893564329 | 90 | As is | 2 g |
P-872728894 | 98 | As is | in stock |
P-864250511 | 95 | As is | by synthesis |
P-901540905 | 95 | As is | by synthesis |
P-901545516 | 95 | As is | by synthesis |
P-901487163 | 95 | As is | by synthesis |
P-872747520 | 95 | As is | by synthesis |
P-580272326 | 95 | As is | by resynthesis (? - ? days) |
P-500417840 | 99 | As is | in stock |
P-890849710 | 95 | As is | in stock |
P-588708706 | 98 | As is | unavailable |
P-899782872 | 97 | As is | 100 mg |
P-31256582 | 90 | As is | unavailable |
P-26461787 | 90 | As is | 73 mg |
P-885528878 | 95 | As is | by synthesis |
P-579331030 | 90 | As is | in stock |
P-873285807 | N/A | As is | in stock |
P-33162897 | 90 | As is | 1000 mg |
P-855029271 | 90 | As is | in stock |
P-855029272 | 90 | As is | in stock |
P-855029273 | 90 | As is | in stock |
P-855029275 | 90 | As is | in stock |
P-854956089 | 90 | As is | in stock |
P-464682055 | 90 | As is | unavailable |
P-3025886 | 90 | As is | unavailable |
P-893667857 | 95 | As is | by synthesis |
P-894012641 | 95 | As is | in stock |
P-852083689 | N/A | As a main component | by synthesis |
P-867457570 | N/A | As a main component | by synthesis |
P-867491644 | N/A | As a main component | by synthesis |
P-889913185 | N/A | As a main component | by synthesis |
P-901461759 | 95 | As a main component | by synthesis |
P-893246289 | 95 | As a main component | by synthesis |
P-500417841 | 95 | As a main component | in stock |
P-675216398 | 95 | As a main component | in stock |
P-899783901 | 97 | As a main component | 250 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 162.231 |
logP | 1.7862 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 16.13 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 53.128 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 14 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |