Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1070552174
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 | N/A | 9 working days | Get Quote |
| 5 mg | 37 USD | N/A | 9 working days | Get Quote |
| 10 mg | 50 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.
-
MCULE-2651005354
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1070552174.sdf |
| SMILES | MCULE-1070552174.smiles |
| Standard InChI | MCULE-1070552174.inchi |
| InChIKey | MCULE-1070552174.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616534 | 99 | As is | in stock |
| P-875777761 | N/A | As is | in stock |
| P-851423319 | N/A | As is | by synthesis |
| P-606915845 | N/A | As is | in stock |
| P-596963794 | 99 | As is | 2 g |
| P-864240622 | 95 | As is | by synthesis |
| P-889561373 | 98 | As is | in stock |
| P-901520974 | 95 | As is | by synthesis |
| P-868079119 | 95 | As is | in stock |
| P-869162595 | 95 | As is | by synthesis |
| P-892298045 | 95 | As is | unavailable |
| P-888657951 | 95 | As is | 21 mg |
| P-575325650 | 95 | As is | in stock |
| P-892880291 | 99 | As a main component | in stock |
| P-901293912 | N/A | As a main component | in stock |
| P-895106072 | 98 | As a main component | 300 mg |
| P-1263785793 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 489.644 |
| logP | 5.6412 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 12 |
| PSA | 70.98 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 137.5811 |
| Atoms | 76 |
| Rings | 3 |
| Heavy atoms | 35 |
| Hydrogen atoms | 41 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
