Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2988299580
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 | 28 USD | 98 | 20 working days | Get Quote |
| 5 mg | 28 USD | 98 | 20 working days | Get Quote |
| 10 mg | 28 USD | 98 | 20 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-3869630469
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2988299580.sdf |
| SMILES | MCULE-2988299580.smiles |
| Standard InChI | MCULE-2988299580.inchi |
| InChIKey | MCULE-2988299580.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-888656489 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-580051479 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868515927 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-875764727 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-865913435 | Angene | Building Blocks in stock | 98 | As a main component | 2.759 g |
| P-881653767 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864173775 | AstaTech | In Stock BBs | 98 | As a main component | in stock |
| P-888656490 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869161254 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-855067078 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 397.510 |
| logP | 3.5168 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 63.69 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.5347 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 31 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
