Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3491529722
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 7 USD | 98 | 16 working days | Get Quote |
| 10 mg | 7 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3491529722.sdf |
| SMILES | MCULE-3491529722.smiles |
| Standard InChI | MCULE-3491529722.inchi |
| InChIKey | MCULE-3491529722.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886839089 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-867661873 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875830832 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869192906 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590373384 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851938202 | AmBeed | In stock | N/A | As is | in stock |
| P-597008863 | Angene | Building Blocks in stock | 98 | As is | 3.275 kg |
| P-864209370 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868614019 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580302502 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-890218925 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590341371 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-492229560 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488550726 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-596593862 | Key Organics | Building Blocks | 90 | As is | 250 g |
| P-613282365 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852510587 | Matrix Scientific | All | N/A | As is | in stock |
| P-492275641 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 400 g |
| P-26390743 | Otava | In-House Stock Library | 90 | As is | 400 g |
| P-454369024 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-424840194 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528653 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502349316 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-25436834 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-464681726 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-666978131 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 103.163 |
| logP | 1.072 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 35.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 29.9414 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 7 |
| Hydrogen atoms | 13 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
