Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2177429045
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 | 24 USD | N/A | 9 working days | Get Quote |
| 5 mg | 51 USD | 95 | 7 working days | Get Quote |
| 10 mg | 74 USD | 95 | 7 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.
-
1
MCULE-7827325311
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2177429045.sdf |
| SMILES | MCULE-2177429045.smiles |
| Standard InChI | MCULE-2177429045.inchi |
| InChIKey | MCULE-2177429045.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875868918 | N/A | As is | in stock |
| P-606913315 | N/A | As is | in stock |
| P-865935467 | 99 | As is | 1.25 g |
| P-864191373 | 95 | As is | in stock |
| P-868513905 | 95 | As is | in stock |
| P-867691830 | 95 | Main component | in stock |
| P-875870582 | N/A | Main component | in stock |
| P-869247002 | 95 | Main component | in stock |
| P-888730562 | N/A | Main component | in stock |
| P-865937780 | 99 | Main component | 1.25 g |
| P-889781368 | 95 | Main component | in stock |
| P-901465692 | 95 | Main component | by synthesis |
| P-868078461 | 95 | Main component | in stock |
| P-594274351 | 95 | Main component | by synthesis |
| P-892295881 | 95 | Main component | unavailable |
| P-888656788 | 95 | Main component | 233 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 575.134 |
| logP | 7.7679 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 14 |
| PSA | 85.02 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 166.1602 |
| Atoms | 80 |
| Rings | 4 |
| Heavy atoms | 41 |
| Hydrogen atoms | 39 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
