MCULE-3602726949
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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.
Name | File |
---|---|
SDF | MCULE-3602726949.sdf |
SMILES | MCULE-3602726949.smiles |
Standard InChI | MCULE-3602726949.inchi |
InChIKey | MCULE-3602726949.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867415561 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-13876862 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13841773 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596594983 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-454373691 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-14025759 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-520156545 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885529560 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-25522480 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 117 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 253.723 |
logP | 3.6124 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 49.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 69.2955 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 16 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |