MCULE-1747434243
- 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 | 39 USD | 95 | 37 working days | Get Quote |
5 mg | 39 USD | 95 | 37 working days | Get Quote |
10 mg | 39 USD | 95 | 37 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.
-
MCULE-8285724382
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-1747434243.sdf |
SMILES | MCULE-1747434243.smiles |
Standard InChI | MCULE-1747434243.inchi |
InChIKey | MCULE-1747434243.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867662020 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875831046 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-887309805 | AmBeed | In stock | N/A | As is | in stock |
P-597006598 | Angene | Building Blocks in stock | 98 | As is | 250 mg |
P-881655176 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864202042 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-860797915 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-505515949 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-881190921 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-888630105 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869112767 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-615457488 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-851853037 | AmBeed | On request | N/A | As a component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 299.348 |
logP | 0.2525 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 139.02 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 79.024 |
Atoms | 37 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 1 |