MCULE-2138016738
- 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 | 9 USD | 99 | 22 working days | Get Quote |
5 mg | 9 USD | 99 | 22 working days | Get Quote |
10 mg | 9 USD | 99 | 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.
Name | File |
---|---|
SDF | MCULE-2138016738.sdf |
SMILES | MCULE-2138016738.smiles |
Standard InChI | MCULE-2138016738.inchi |
InChIKey | MCULE-2138016738.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867597588 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875757381 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505391314 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-893592371 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 100.1 g |
P-606909161 | AmBeed | In stock | N/A | As is | in stock |
P-864183902 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584628317 | BLD pharm | In-stock building blocks | 99 | As is | 2.15 kg |
P-893238059 | Biosynth | In Stock | 95 | As is | in stock |
P-881631704 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-868614766 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580303858 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862121996 | FluoroChem | General BB | 99 | As is | in stock |
P-856009485 | Key Organics | Biochemicals | 95 | As is | 100 mg |
P-31273074 | LaboTest | Screening Collection | 90 | As is | 5 g |
P-896629599 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-863734538 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584626851 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888172486 | Molnova | On demand | 98 | As is | by synthesis |
P-885535558 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617403583 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-892274651 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869178461 | TargetMol | Natural Products | 95 | As is | in stock |
P-892299459 | TargetMol | In Stock BB | 95 | As is | 1.001 g |
P-892351055 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.001 g |
P-611513364 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 276.283 |
logP | 0.187 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 11 |
PSA | 99.13 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.8528 |
Atoms | 39 |
Rings | 0 |
Heavy atoms | 19 |
Hydrogen atoms | 20 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |