MCULE-7786124927-0
- 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 | 42 USD | 95 | 15 working days | Get Quote |
5 mg | 42 USD | 95 | 15 working days | Get Quote |
10 mg | 42 USD | 95 | 15 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-4804081518-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7786124927-0.sdf |
SMILES | MCULE-7786124927-0.smiles |
Standard InChI | MCULE-7786124927-0.inchi |
InChIKey | MCULE-7786124927-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867579346 | 95 | As is | in stock |
P-875737713 | N/A | As is | in stock |
P-890254621 | 97 | As is | by synthesis |
P-903067802 | 97 | As is | 2 g |
P-905477696 | 97 | As is | 10 g |
P-903000652 | N/A | As is | in stock |
P-489192415 | 97 | As is | in stock |
P-494427786 | 95 | As is | by resynthesis (? - ? days) |
P-864110601 | 97 | As is | in stock |
P-590782919 | 95 | As is | by synthesis |
P-893622679 | 95 | As is | in stock |
P-580433946 | 95 | As is | by resynthesis (? - ? days) |
P-502506240 | 95 | As is | by synthesis |
P-563388144 | 97 | As is | 5 g |
P-579635052 | 97 | As is | by resynthesis (? - ? days) |
P-852387488 | N/A | As is | in stock |
P-869026236 | 95 | As is | by synthesis |
P-888871794 | N/A | As is | in stock |
P-873214096 | 90 | As is | in stock |
P-611486577 | 90 | As is | in stock |
P-615392261 | 95 | As is | in stock |
P-867662130 | N/A | As a main component | in stock |
P-875831243 | N/A | As a main component | in stock |
P-874623879 | 95 | As a main component | in stock |
P-590400421 | 95 | As a main component | in stock |
P-903206591 | 95 | As a main component | 1.25 g |
P-893480152 | 90 | As a main component | 34.75 g |
P-606888148 | N/A | As a main component | in stock |
P-868831985 | 95 | As a main component | 1.25 g |
P-494347657 | 95 | As a main component | 590 mg |
P-864093820 | 95 | As a main component | in stock |
P-866715289 | 95 | As a main component | 1.12 g |
P-901550565 | 95 | As a main component | by synthesis |
P-492265920 | 95 | As a main component | in stock |
P-893622608 | 95 | As a main component | in stock |
P-454314044 | 95 | As a main component | 190 mg |
P-454399694 | 95 | As a main component | 5 g |
P-852579283 | N/A | As a main component | in stock |
P-854921827 | 95 | As a main component | by synthesis |
P-893992115 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 199.248 |
logP | 3.5256 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 62.7744 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 13 |
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 |