Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1591342566
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 | 36 USD | 95 | 14 working days | Get Quote |
| 5 mg | 36 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-1591342566.sdf |
| SMILES | MCULE-1591342566.smiles |
| Standard InChI | MCULE-1591342566.inchi |
| InChIKey | MCULE-1591342566.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867306399 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889928369 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-894628838 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436470066 | Alinda | Building Blocks | 95 | As is | 2 g |
| P-851477355 | AmBeed | On request | N/A | As is | by synthesis |
| P-901360707 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590766729 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-504730972 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-454756470 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-454723946 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-607694893 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
| P-861533204 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34459442 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580765555 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580776148 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-855975944 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852449066 | Matrix Scientific | All | N/A | As is | in stock |
| P-854887385 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23815464 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491223277 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12820636 | Specs | Screening Compounds | 90 | As is | 75 mg |
| P-33465626 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502342353 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855349526 | Toronto Research | In stock | 90 | As is | in stock |
| P-596528615 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.001 g |
| P-1231287 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.001 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.190 |
| logP | 1.0571 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 99.17 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 54.509 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
