MCULE-9496639394
- 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 | 13 USD | 98 | 20 working days | Get Quote |
5 mg | 13 USD | 98 | 20 working days | Get Quote |
10 mg | 13 USD | 98 | 20 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-9496639394.sdf |
SMILES | MCULE-9496639394.smiles |
Standard InChI | MCULE-9496639394.inchi |
InChIKey | MCULE-9496639394.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867557100 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875716111 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869323925 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893521616 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 451.5 g |
P-606899412 | AmBeed | In stock | N/A | As is | in stock |
P-596982346 | Angene | Building Blocks in stock | 98 | As is | 200 g |
P-895923906 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864195727 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-619601747 | BLD pharm | In-stock building blocks | 98 | As is | 31 g |
P-901496854 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-492254659 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4147810 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-505595006 | Chemcia | Stock compounds | 97 | As is | in stock |
P-868622112 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580378386 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-862040290 | FluoroChem | General BB | N/A | As is | in stock |
P-488551143 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13767030 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595641 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-870641496 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-867944417 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-454372216 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-605211292 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885529838 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611496960 | Toronto Research | In stock | 90 | As is | in stock |
P-464686259 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.008 g |
P-2236497 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.008 g |
P-901168382 | XtalPi Inc. | Express Building Blocks | 98 | As is | in stock |
P-615411446 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 170.595 |
logP | 2.3026 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 69.11 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 43.9513 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 7 |
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 |