Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1600430044
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 46 USD | 90 | 21 working days | Get Quote |
| 10 mg | 54 USD | 90 | 21 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-1600430044.sdf |
| SMILES | MCULE-1600430044.smiles |
| Standard InChI | MCULE-1600430044.inchi |
| InChIKey | MCULE-1600430044.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867645830 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875812783 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-612939054 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903173559 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 3 g |
| P-436446899 | Alinda | Building Blocks | 95 | As is | in stock |
| P-19987618 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606851810 | AmBeed | In stock | N/A | As is | in stock |
| P-888820308 | Angene | Building Blocks in stock | 95 | As is | 3 g |
| P-889843163 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-890243703 | BLD pharm | In-stock building blocks | 95 | As is | 1.6 g |
| P-492247965 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454693049 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868634431 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34565475 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-861975118 | FluoroChem | General BB | N/A | As is | in stock |
| P-503008044 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596589540 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-852392756 | Matrix Scientific | All | N/A | As is | in stock |
| P-854921415 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-885524881 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19229606 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896084901 | Specs | Repurposed Compounds | N/A | As is | 1.44 g |
| P-902562418 | Specs | Natural Products | 80 | As is | 1.44 g |
| P-22636948 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502333359 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888447426 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855301490 | Toronto Research | In stock | 90 | As is | in stock |
| P-3231633 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.168 g |
| P-468121 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.168 g |
| P-3242229 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 1.168 g |
| P-872756342 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.273 |
| logP | 2.8996 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.4111 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
