MCULE-3508593999
- 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 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-3508593999.sdf |
SMILES | MCULE-3508593999.smiles |
Standard InChI | MCULE-3508593999.inchi |
InChIKey | MCULE-3508593999.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867653800 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875821436 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615715344 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851607754 | AmBeed | On request | N/A | As is | by synthesis |
P-590849078 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492254642 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4147746 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-861376095 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862040279 | FluoroChem | General BB | N/A | As is | in stock |
P-488552029 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13787071 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596595661 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-852417671 | Matrix Scientific | All | N/A | As is | in stock |
P-854791794 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454372707 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-13987911 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-885529846 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-424877025 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611602335 | Toronto Research | In stock | 90 | As is | in stock |
P-464686279 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.12 g |
P-2605911 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.12 g |
P-893677931 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 214.647 |
logP | 2.1613 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 64.35 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 56.0611 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 11 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |