MCULE-5393489002
- 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 | 13 USD | N/A | 14 working days | Get Quote |
5 mg | 22 USD | 97 | 20 working days | Get Quote |
10 mg | 22 USD | 97 | 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.
-
MCULE-4761007717
- Component type: Main
-
MCULE-1225783673
- Component type: Main
-
MCULE-4606671312
- Component type: Main
-
MCULE-7111907836
- Component type: Main
-
MCULE-9373909387
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5393489002.sdf |
SMILES | MCULE-5393489002.smiles |
Standard InChI | MCULE-5393489002.inchi |
InChIKey | MCULE-5393489002.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-500415074 | AvaChem Scientific | All products | 95 | As is | by synthesis |
P-861277368 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
P-584619851 | MedKoo | In stock compounds | 95 | As is | in stock |
P-875700848 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
P-851457486 | AmBeed | On request | N/A | As a main component | by synthesis |
P-606866205 | AmBeed | In stock | N/A | As a main component | in stock |
P-489141106 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
P-596939050 | Angene | Building Blocks in stock | 97 | As a main component | 1000 mg |
P-580195213 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
P-611017580 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-580699270 | BLD pharm | In-stock building blocks | 98 | As a main component | unavailable |
P-851268251 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
P-580452440 | CliniSciences S.A.S | All products | 98 | As a main component | in stock |
P-861430534 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-608496807 | DC Chemicals Limited | Stock Products | 95 | As a main component | in stock |
P-870653158 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
P-505515957 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-524165578 | Key Organics | Building Blocks | 98 | As a main component | 10 mg |
P-873389884 | LabSeeker, Inc | On demand Catalog | 96 | As a main component | by resynthesis (? - ? days) |
P-860794420 | Manchester Organics | Compounds on demand | N/A | As a main component | by synthesis |
P-608279035 | Molnova | Stock | 98 | As a main component | in stock |
P-500411323 | Pi Chemicals | Virtual Compounds | 97 | As a main component | by synthesis |
P-885536587 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
P-579710680 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
P-888657629 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-525182675 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-611449600 | Toronto Research | In stock | 90 | As a main component | in stock |
P-886958734 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 384.579 |
logP | 5.3178 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 14 |
PSA | 78.02 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 111.4195 |
Atoms | 62 |
Rings | 1 |
Heavy atoms | 26 |
Hydrogen atoms | 36 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |