MCULE-3574428676
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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.
-
1
MCULE-2748316878
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3574428676.sdf |
SMILES | MCULE-3574428676.smiles |
Standard InChI | MCULE-3574428676.inchi |
InChIKey | MCULE-3574428676.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892496388 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-852403504 | Matrix Scientific | All | N/A | As is | in stock |
P-873237466 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596508212 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-424907826 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-25574111 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 795 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 245.701 |
logP | 2.4081 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 49.77 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 65.4918 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 16 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |