Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2549466143
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 | 6 USD | 97 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 USD | 97 | 20 working days | Get Quote |
- 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.
-
1
MCULE-3551661109
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2549466143.sdf |
| SMILES | MCULE-2549466143.smiles |
| Standard InChI | MCULE-2549466143.inchi |
| InChIKey | MCULE-2549466143.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875727429 | 95 | As is | in stock |
| P-1275144523 | 95 | As is | in stock |
| P-1275179959 | 98 | As is | in stock |
| P-1270383494 | 95 | As is | in stock |
| P-851930373 | N/A | As is | in stock |
| P-619178706 | 98 | As is | 1000 g |
| P-864163161 | 95 | As is | in stock |
| P-893242097 | 95 | As is | in stock |
| P-861285916 | 95 | As is | in stock |
| P-892262165 | 95 | As is | 15.919 g |
| P-892297409 | 95 | As is | 3 g |
| P-892343560 | 95 | As is | 3 g |
| P-854977021 | 90 | As is | in stock |
| P-1271706157 | 95 | As is | in stock |
| P-867661825 | 97 | Main component | in stock |
| P-875830607 | 95 | Main component | in stock |
| P-1275154077 | 95 | Main component | in stock |
| P-1275176146 | 98 | Main component | in stock |
| P-881654017 | 98 | Main component | in stock |
| P-1270290278 | 97 | Main component | in stock |
| P-580269293 | 95 | Main component | by synthesis |
| P-606943407 | N/A | Main component | in stock |
| P-596972837 | 97 | Main component | 200 g |
| P-864158215 | 95 | Main component | in stock |
| P-893242139 | 95 | Main component | in stock |
| P-861274503 | 95 | Main component | in stock |
| P-580418414 | 95 | Main component | by resynthesis (? - ? days) |
| P-869175998 | 95 | Main component | in stock |
| P-892228565 | 95 | Main component | 102 mg |
| P-892290972 | 95 | Main component | 3.102 g |
| P-892321933 | 95 | Main component | 3.102 g |
| P-502327437 | 90 | Main component | in stock |
| P-1271640546 | 98 | Main component | in stock |
| P-907006393 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-851798761 | N/A | Main component as a main component | by synthesis |
| P-864163165 | 95 | Main component as a main component | in stock |
| P-896031090 | 95 | Main component as a main component | in stock |
| P-1263584002 | 95 | Main component as a main component | by synthesis |
| P-861274504 | 95 | Main component as a main component | in stock |
| P-617989402 | 92 | Main component as a main component | 300 mg |
| P-854553950 | 92 | Main component as a main component | 12 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 391.185 |
| logP | -0.4054 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 201.54 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 70.5195 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 12 |
| Heteroatoms | 15 |
| N/O atoms | 12 |
| Inorganic atoms | 2 |
| 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 |
