MCULE-2063274139-0
- 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 | 26 USD | 98 | 11 working days | Get Quote |
5 mg | 26 USD | 98 | 11 working days | Get Quote |
10 mg | 26 USD | 98 | 11 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.
Name | File |
---|---|
SDF | MCULE-2063274139-0.sdf |
SMILES | MCULE-2063274139-0.smiles |
Standard InChI | MCULE-2063274139-0.inchi |
InChIKey | MCULE-2063274139-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867602244 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890148641 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-595218629 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893575427 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2 g |
P-866099430 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-606904390 | AmBeed | In stock | N/A | As is | in stock |
P-888815936 | Angene | Building Blocks in stock | 98 | As is | 2 g |
P-889523760 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-890243844 | BLD pharm | In-stock building blocks | 98 | As is | unavailable |
P-505588272 | Chemcia | Stock compounds | 99 | As is | in stock |
P-851263192 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868590432 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580417169 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-575337506 | EvoBlocks | In-stock Building Blocks | 95 | As is | in stock |
P-14043896 | InFarmatik | Building Blocks | 90 | As is | no data |
P-454378646 | Key Organics | Building Blocks | 95 | As is | 1.651 g |
P-18795878 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.651 g |
P-580501682 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-852393407 | Matrix Scientific | All | N/A | As is | in stock |
P-854786847 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-622239533 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-896083162 | Specs | Repurposed Compounds | N/A | As is | 8 mg |
P-498714807 | Synthonix | In-stock Building Blocks | 97 | As is | 14 g |
P-502399149 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611456779 | Toronto Research | In stock | 90 | As is | in stock |
P-894011867 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 204.225 |
logP | 1.8194 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 43.6 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 56.2445 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |