MCULE-9773476705-0
- 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 | 62 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.
-
MCULE-1243830400-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9773476705-0.sdf |
SMILES | MCULE-9773476705-0.smiles |
Standard InChI | MCULE-9773476705-0.inchi |
InChIKey | MCULE-9773476705-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867337598 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889991847 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894668092 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851871963 | AmBeed | On request | N/A | As is | by synthesis |
P-611142620 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861394662 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854877397 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611567138 | Toronto Research | In stock | 90 | As is | in stock |
P-893816408 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-492237292 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-502847138 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-26595972 | Otava | In-House Stock Library | 90 | As a main component | 101 mg |
P-617711486 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As a main component | 101 mg |
P-19566244 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-675103745 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-873235534 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-617776242 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 18 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 152.237 |
logP | 1.71238 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 27.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 49.823 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |