MCULE-5496830293
- 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 | 97 | 8 working days | Get Quote |
5 mg | 9 USD | 97 | 8 working days | Get Quote |
10 mg | 9 USD | 97 | 8 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-5496830293.sdf |
SMILES | MCULE-5496830293.smiles |
Standard InChI | MCULE-5496830293.inchi |
InChIKey | MCULE-5496830293.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867542281 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875698590 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869181440 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505351746 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-903021831 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 1.5 kg |
P-580238990 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-617061640 | Allbio Pharm | In stock | N/A | As is | in stock |
P-606834246 | AmBeed | In stock | N/A | As is | in stock |
P-596938505 | Angene | Building Blocks in stock | 98 | As is | 9.5 kg |
P-494347909 | Apollo Scientific | In Stock | 95 | As is | 10.387 kg |
P-864184846 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580698808 | BLD pharm | In-stock building blocks | 97 | As is | 4.6 kg |
P-893227706 | Biosynth | In Stock | 95 | As is | in stock |
P-851272607 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-580426618 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861987720 | FluoroChem | General BB | N/A | As is | in stock |
P-870656377 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-505492611 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454404498 | Key Organics | Building Blocks | 90 | As is | 500 g |
P-856008361 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-31185016 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852444475 | Matrix Scientific | All | N/A | As is | in stock |
P-854729861 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-19546816 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885534198 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502370777 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611479024 | Toronto Research | In stock | 90 | As is | in stock |
P-1211921 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 203 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 239.181 |
logP | 1.6912 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 98.42 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 57.823 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 17 |
Hydrogen atoms | 9 |
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 |