Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3139495032
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 | 18 USD | 92 | 18 working days | Get Quote |
| 5 mg | 22 USD | N/A | 9 working days | Get Quote |
| 10 mg | 22 USD | N/A | 9 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-3139495032.sdf |
| SMILES | MCULE-3139495032.smiles |
| Standard InChI | MCULE-3139495032.inchi |
| InChIKey | MCULE-3139495032.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867634003 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875798550 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869312819 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606902540 | AmBeed | In stock | N/A | As is | in stock |
| P-889793793 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-890233017 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492253474 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-427947935 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-3928324 | ChemDiv | Discovery Chemistry Library | 90 | As is | 24 mg |
| P-868568293 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862039776 | FluoroChem | General BB | N/A | As is | in stock |
| P-12373564 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-855927063 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-854801865 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-864674274 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18996222 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896082214 | Specs | Repurposed Compounds | N/A | As is | 1.525 g |
| P-502428621 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611588261 | Toronto Research | In stock | 90 | As is | in stock |
| P-3240592 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 444 mg |
| P-615412994 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.269 |
| logP | 2.316 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 23.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 62.163 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| 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 |
