MCULE-5337098390
- 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 | 23 USD | N/A | 9 working days | Get Quote |
5 mg | 23 USD | N/A | 9 working days | Get Quote |
10 mg | 23 USD | N/A | 9 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.
-
1
MCULE-2794105344
- Component type: Main
-
1
MCULE-7907563410
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5337098390.sdf |
SMILES | MCULE-5337098390.smiles |
Standard InChI | MCULE-5337098390.inchi |
InChIKey | MCULE-5337098390.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851558218 | AmBeed | On request | N/A | As is | by synthesis |
P-855094637 | Toronto Research | In stock | 90 | As is | in stock |
P-867634192 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
P-875798737 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-865920730 | Angene | Building Blocks in stock | 98 | Main component | 1000 mg |
P-889850914 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-893240857 | Biosynth | In Stock | 95 | Main component | in stock |
P-869124172 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-888638042 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
P-901316530 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-616216539 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-616223445 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
P-872713115 | AmBeed | In stock | N/A | Main component as a main component | in stock |
P-871256288 | AmBeed | In stock | N/A | Main component as a main component | in stock |
P-901337476 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
P-889585547 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
P-901502370 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
P-893240878 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
P-893240910 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
P-893240924 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
P-855085839 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-855104617 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-893993781 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 395.447 |
logP | -2.3854 |
H-bond acceptors | 9 |
H-bond donors | 4 |
Rotatable bonds | 7 |
PSA | 180.22 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 44.8107 |
Atoms | 28 |
Rings | 0 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
Heteroatoms | 11 |
N/O atoms | 9 |
Inorganic atoms | 1 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 4 |
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 |