MCULE-2577762677
- 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 | 36 USD | 95 | 26 working days | Get Quote |
5 mg | 36 USD | 95 | 26 working days | Get Quote |
10 mg | 39 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-2577762677.sdf |
SMILES | MCULE-2577762677.smiles |
Standard InChI | MCULE-2577762677.inchi |
InChIKey | MCULE-2577762677.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867579178 | 95 | As is | in stock |
P-875738711 | N/A | As is | in stock |
P-903069160 | 97 | As is | 5 g |
P-907314633 | 95 | As is | by synthesis |
P-851747123 | N/A | As is | by synthesis |
P-489123741 | 97 | As is | in stock |
P-597010094 | 97 | As is | 5 g |
P-905467611 | 95 | As is | in stock |
P-454708360 | 90 | As is | in stock |
P-436457553 | 95 | As is | 10 g |
P-868600994 | 97 | As is | in stock |
P-580433030 | 95 | As is | by resynthesis (? - ? days) |
P-905310946 | 95 | As is | 4 g |
P-502507182 | 95 | As is | by synthesis |
P-588709471 | 95 | As is | unavailable |
P-852430051 | N/A | As is | in stock |
P-856063998 | 95 | As is | in stock |
P-579335444 | 90 | As is | in stock |
P-502407392 | 90 | As is | in stock |
P-906863869 | 97 | As is | by synthesis |
P-855221146 | 90 | As is | in stock |
P-3233286 | 90 | As is | 1000 mg |
P-25694793 | 90 | As is | 1000 mg |
P-615420666 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 249.088 |
logP | 4.0728 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 45.31 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.9765 |
Atoms | 17 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 3 |
Heteroatoms | 5 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |