Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5448996279
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 | 20 USD | 98 | 20 working days | Get Quote |
| 5 mg | 20 USD | 98 | 20 working days | Get Quote |
| 10 mg | 24 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.
-
MCULE-8004972280
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5448996279.sdf |
| SMILES | MCULE-5448996279.smiles |
| Standard InChI | MCULE-5448996279.inchi |
| InChIKey | MCULE-5448996279.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867567208 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875726925 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890838556 | ACS Scientific | In stock catalog | 97 | As is | in stock |
| P-590356518 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580269408 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-892507980 | AmBeed | On request | N/A | As is | by synthesis |
| P-596947636 | Angene | Building Blocks in stock | 98 | As is | 1.75 g |
| P-864122009 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580450315 | CliniSciences S.A.S | All products | 98 | As is | in stock |
| P-505530754 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454366628 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500411473 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-869162106 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892297099 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888657496 | TargetMol | Screening Compounds - stock amount | 95 | As is | 199 mg |
| P-611365424 | Toronto Research | In stock | 90 | As is | in stock |
| P-867639267 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875804795 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-579762008 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-881623224 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-875890753 | Angene | Building Blocks in stock | N/A | As a main component | 25 mg |
| P-580452121 | CliniSciences S.A.S | All products | 98 | As a main component | in stock |
| P-869121505 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-888636138 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | unavailable |
| P-855053119 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.659 |
| logP | 2.5573 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.3182 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
