MCULE-8781754055
- 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 | 31 USD | 98 | 20 working days | Get Quote |
5 mg | 31 USD | 98 | 20 working days | Get Quote |
10 mg | 31 USD | 98 | 20 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-8781754055.sdf |
SMILES | MCULE-8781754055.smiles |
Standard InChI | MCULE-8781754055.inchi |
InChIKey | MCULE-8781754055.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867563885 | 98 | As is | in stock |
P-875723467 | N/A | As is | in stock |
P-869368677 | 95 | As is | in stock |
P-903052612 | 98 | As is | 20 g |
P-893506094 | 90 | As is | 10 g |
P-580244151 | 95 | As is | by synthesis |
P-888306774 | N/A | As is | by synthesis |
P-489137480 | 97 | As is | in stock |
P-597005701 | 98 | As is | 10 g |
P-494348270 | 95 | As is | 1.77 g |
P-864127294 | 95 | As is | in stock |
P-590957732 | 97 | As is | by synthesis |
P-4598481 | 90 | As is | 5 mg |
P-851259301 | 95 | As is | by synthesis |
P-868642440 | 97 | As is | in stock |
P-580396751 | N/A | As is | by resynthesis (? - ? days) |
P-454311906 | 97 | As is | 549 mg |
P-454398720 | 97 | As is | 5 g |
P-579625133 | 95 | As is | 25 g |
P-580485807 | N/A | As is | by synthesis |
P-852530508 | N/A | As is | in stock |
P-895254704 | 95 | As is | by synthesis |
P-906781518 | 98 | As is | by synthesis |
P-611432944 | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 133.151 |
logP | 0.96508 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 49.57 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 36.679 |
Atoms | 17 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 7 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |