MCULE-4749498063
- 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 | 26 USD | 95 | 17 working days | Get Quote |
5 mg | 26 USD | 95 | 17 working days | Get Quote |
10 mg | 26 USD | 95 | 17 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-3573592853
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4749498063.sdf |
SMILES | MCULE-4749498063.smiles |
Standard InChI | MCULE-4749498063.inchi |
InChIKey | MCULE-4749498063.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867641389 | 95 | As is | in stock |
P-875807905 | N/A | As is | in stock |
P-869214017 | 95 | As is | in stock |
P-903165457 | 96 | As is | 1000 mg |
P-904303395 | 90 | As is | by synthesis |
P-851624810 | N/A | As is | by synthesis |
P-619203477 | 96 | As is | unavailable |
P-494347933 | 95 | As is | 622 g |
P-901352130 | 95 | As is | by synthesis |
P-590846618 | 95 | As is | by synthesis |
P-454705599 | 90 | As is | in stock |
P-436456667 | 95 | As is | 20 g |
P-868642339 | 95 | As is | in stock |
P-502452877 | 95 | As is | by synthesis |
P-454330766 | 95 | As is | 100 mg |
P-454407615 | 95 | As is | 25 g |
P-601072397 | 90 | As is | 295 mg |
P-25841455 | 95 | As is | 295 mg |
P-852509486 | N/A | As is | in stock |
P-895303492 | 95 | As is | by synthesis |
P-896080031 | N/A | As is | 8.905 g |
P-502398235 | 90 | As is | in stock |
P-611436076 | 90 | As is | in stock |
P-588719502 | N/A | As is | by synthesis |
P-893648803 | 95 | As is | by synthesis |
P-852390251 | N/A | As a main component | in stock |
P-611436077 | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 199.248 |
logP | 3.9507 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 62.3284 |
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 |