Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5989456487
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 | 30 USD | 98 | 19 working days | Get Quote |
| 5 mg | 30 USD | 98 | 19 working days | Get Quote |
| 10 mg | 30 USD | 98 | 19 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-5989456487.sdf |
| SMILES | MCULE-5989456487.smiles |
| Standard InChI | MCULE-5989456487.inchi |
| InChIKey | MCULE-5989456487.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867645775 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875812650 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869186223 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505390814 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580193545 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864233936 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-893218324 | Biosynth | In Stock | 95 | As is | in stock |
| P-580450707 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-675218197 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488555688 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-502330640 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611356722 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 281.347 |
| logP | 1.3703 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 83.47 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.4695 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
