Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4588503949
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 | 19 USD | 98 | 20 working days | Get Quote |
| 5 mg | 26 USD | N/A | 9 working days | Get Quote |
| 10 mg | 36 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.
-
MCULE-6031486630
- Component type: Main
-
MCULE-9474135095
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4588503949.sdf |
| SMILES | MCULE-4588503949.smiles |
| Standard InChI | MCULE-4588503949.inchi |
| InChIKey | MCULE-4588503949.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852175843 | N/A | As is | by synthesis |
| P-901272650 | N/A | As is | in stock |
| P-887312687 | N/A | As is | by synthesis |
| P-895100729 | 98 | As is | 500 mg |
| P-896031342 | 95 | As is | in stock |
| P-901415652 | 95 | As is | by synthesis |
| P-488555865 | 92 | As is | in stock |
| P-855050979 | 90 | As is | in stock |
| P-875830326 | N/A | As a main component | in stock |
| P-892782024 | 98 | As a main component | in stock |
| P-887309598 | N/A | As a main component | in stock |
| P-596972713 | 98 | As a main component | 5 g |
| P-864192280 | 95 | As a main component | in stock |
| P-893243264 | 95 | As a main component | in stock |
| P-892229070 | 95 | As a main component | by synthesis |
| P-869176056 | 95 | As a main component | in stock |
| P-892291300 | 95 | As a main component | 1000 mg |
| P-892322380 | 95 | As a main component | 1000 mg |
| P-868492830 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 471.509 |
| logP | 0.2975 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 160.88 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 122.4237 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 5 |
| R/S chiral centers | 5 |
| 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 |
