Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9625853053
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 | 58 USD | 95 | 12 working days | Get Quote |
| 5 mg | 121 USD | 95 | 12 working days | Get Quote |
| 10 mg | 199 USD | 95 | 12 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-2710457929
- Component type: Main
-
1
MCULE-9976402631
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9625853053.sdf |
| SMILES | MCULE-9625853053.smiles |
| Standard InChI | MCULE-9625853053.inchi |
| InChIKey | MCULE-9625853053.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266259834 | 95 | As is | in stock |
| P-901301839 | 95 | As is | in stock |
| P-874635370 | N/A | As is | by resynthesis (? - ? days) |
| P-895108525 | 98 | As is | 1 mg |
| P-889796770 | 95 | As is | by synthesis |
| P-1271631080 | 98 | As is | in stock |
| P-867623684 | 98 | Main component | in stock |
| P-875786241 | 98 | Main component | in stock |
| P-895099116 | 95 | Main component | 100 mg |
| P-893252272 | 95 | Main component | by synthesis |
| P-500397425 | 97 | Main component | by synthesis |
| P-904255626 | 95 | Main component as a main component | unavailable |
| P-869174196 | 95 | Main component as a main component | 959 mg |
| P-888664502 | 95 | Main component as a main component | 958 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1177.233 |
| logP | 3.9648 |
| H-bond acceptors | 28 |
| H-bond donors | 14 |
| Rotatable bonds | 39 |
| PSA | 471.33 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 287.9008 |
| Atoms | 144 |
| Rings | 4 |
| Heavy atoms | 81 |
| Hydrogen atoms | 63 |
| Heteroatoms | 30 |
| N/O atoms | 25 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 7 |
| R/S chiral centers | 7 |
| 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 |
