MCULE-8664408343
- 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 | 8 USD | 98 | 20 working days | Get Quote |
5 mg | 8 USD | 98 | 20 working days | Get Quote |
10 mg | 8 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-8664408343.sdf |
SMILES | MCULE-8664408343.smiles |
Standard InChI | MCULE-8664408343.inchi |
InChIKey | MCULE-8664408343.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867560788 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875720656 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851151142 | Angene | Building Blocks in stock | 98 | As is | 200 g |
P-864196153 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868545782 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-488556159 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-488543709 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-454363656 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-869117700 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892288638 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888632873 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
P-611436979 | Toronto Research | In stock | 90 | As is | in stock |
P-464690002 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.659 g |
P-2376546 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.659 g |
Property | Value |
---|---|
Components | 1 |
Mass | 267.242 |
logP | -0.74354 |
H-bond acceptors | 9 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 134.07 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 61.7325 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 13 |
Heteroatoms | 9 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 3 |
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 |