Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4113760187
Compound
Show structures
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 72 USD | 95 | 18 working days | Get Quote |
| 10 mg | 72 USD | 95 | 18 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-4113760187.sdf |
| SMILES | MCULE-4113760187.smiles |
| Standard InChI | MCULE-4113760187.inchi |
| InChIKey | MCULE-4113760187.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867293174 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-605394651 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-504746068 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-580411261 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889425106 | FluoroChem | General BB | N/A | As is | in stock |
| P-492235270 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502468661 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502480330 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502769574 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12727951 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-563687506 | Key Organics | Building Blocks | 95 | As is | 50 mg |
| P-869019770 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492273530 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 880 mg |
| P-12318561 | Otava | In-House Stock Library | 90 | As is | 880 mg |
| P-26526325 | Otava | In-House Stock Library | 90 | As is | 6.589 g |
| P-492284984 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 6.589 g |
| P-13996544 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-856067691 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
| P-873234577 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855219489 | Toronto Research | In stock | 90 | As is | in stock |
| P-2254814 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.273 |
| logP | 2.6795 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.6255 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
