MCULE-1200794918
- 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 | 11 USD | 95 | 8 working days | Get Quote |
5 mg | 11 USD | 95 | 8 working days | Get Quote |
10 mg | 11 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-6809738390
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1200794918.sdf |
SMILES | MCULE-1200794918.smiles |
Standard InChI | MCULE-1200794918.inchi |
InChIKey | MCULE-1200794918.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867660319 | 95 | As is | in stock |
P-875828871 | N/A | As is | in stock |
P-869251800 | 95 | As is | in stock |
P-903204490 | 95 | As is | 500 mg |
P-893539468 | 90 | As is | 1.25 g |
P-606845306 | N/A | As is | in stock |
P-865926280 | 95 | As is | 1.25 g |
P-589656621 | 95 | As is | by resynthesis (? - ? days) |
P-864162489 | 95 | As is | in stock |
P-615696825 | 95 | As is | 1.25 g |
P-577179635 | 90 | As is | by synthesis |
P-861428208 | 95 | As is | by synthesis |
P-855962069 | 95 | As is | 1000 mg |
P-854800367 | 95 | As is | by synthesis |
P-888881537 | N/A | As is | in stock |
P-424877392 | 90 | As is | in stock |
P-2516650 | 90 | As is | 36 mg |
P-886965409 | 95 | As is | by synthesis |
P-867695304 | 95 | As a main component | in stock |
P-875875370 | N/A | As a main component | in stock |
P-874605320 | 95 | As a main component | in stock |
P-903371168 | 95 | As a main component | 750 mg |
P-893558694 | 90 | As a main component | 10.75 g |
P-851929905 | N/A | As a main component | in stock |
P-865939174 | 95 | As a main component | 750 mg |
P-889583777 | 95 | As a main component | in stock |
P-870588934 | 95 | As a main component | by synthesis |
P-855960809 | 95 | As a main component | 250 mg |
P-895698459 | 95 | As a main component | by synthesis |
P-868514557 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 189.296 |
logP | 3.4468 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.1707 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 19 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |