MCULE-9612383887
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-9612383887.sdf |
SMILES | MCULE-9612383887.smiles |
Standard InChI | MCULE-9612383887.inchi |
InChIKey | MCULE-9612383887.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852119544 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889945632 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869313632 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436448908 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851827247 | AmBeed | On request | N/A | As is | by synthesis |
P-591123159 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-5332395 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-454698900 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-868633129 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-862062318 | FluoroChem | General BB | N/A | As is | in stock |
P-502932253 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503910492 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-596599364 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-31199143 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852398955 | Matrix Scientific | All | N/A | As is | in stock |
P-854922715 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-617710887 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 110 mg |
P-13180840 | Otava | In-House Stock Library | 90 | As is | 110 mg |
P-885532008 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-424837996 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12585155 | Specs | Screening Compounds | 90 | As is | 143 mg |
P-855302418 | Toronto Research | In stock | 90 | As is | in stock |
P-676487288 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
P-596537769 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.059 g |
P-35048104 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.059 g |
Property | Value |
---|---|
Components | 1 |
Mass | 257.259 |
logP | 3.3536 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.8087 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |