Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1585410947
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 | 14 USD | 95 | 19 working days | Get Quote |
| 5 mg | 14 USD | 95 | 19 working days | Get Quote |
| 10 mg | 35 USD | 95 | 22 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-1585410947.sdf |
| SMILES | MCULE-1585410947.smiles |
| Standard InChI | MCULE-1585410947.inchi |
| InChIKey | MCULE-1585410947.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867568855 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-881672184 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505392004 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-872728103 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-896023782 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893221601 | Biosynth | In Stock | 95 | As is | in stock |
| P-505493636 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524443343 | Key Organics | Biochemicals | 97 | As is | 231 mg |
| P-500395546 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19533273 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889881042 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869120323 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892289409 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888635134 | TargetMol | Screening Compounds - stock amount | 95 | As is | 202 mg |
| P-22904790 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-611431405 | Toronto Research | In stock | 90 | As is | in stock |
| P-854974528 | Toronto Research | In stock | 90 | As is | in stock |
| P-1257400 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.405 |
| logP | 4.8718 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 27.96 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 96.755 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 22 |
| Hydrogen atoms | 23 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
