MCULE-1282411969
- 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 | 30 USD | N/A | 22 working days | Get Quote |
5 mg | 30 USD | N/A | 22 working days | Get Quote |
10 mg | 30 USD | N/A | 22 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-5914090374
- Component type: Main
-
MCULE-8812706936
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1282411969.sdf |
SMILES | MCULE-1282411969.smiles |
Standard InChI | MCULE-1282411969.inchi |
InChIKey | MCULE-1282411969.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867579266 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875739359 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881673193 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-610888319 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-893302360 | Allbio Pharm | In stock | N/A | As is | in stock |
P-489108509 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-864118214 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580276844 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-579720287 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
P-488546884 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13530883 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-563407398 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-454415213 | Key Organics | Building Blocks | 90 | As is | 25.24 g |
P-524201078 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-18816013 | Key Organics | Screening Compounds and Fragments | 90 | As is | 14.45 g |
P-852437303 | Matrix Scientific | All | N/A | As is | in stock |
P-454366656 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-23811111 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-885528603 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579267251 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-35124777 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-464681642 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-852181657 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-893430895 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
P-856058886 | Aldlab Chemicals | Building Block Custom Synth | 95 | As a main component | by synthesis |
P-864272772 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-886942181 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 115.174 |
logP | 0.0108 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 23.47 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 36.8148 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 13 |
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 |