Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9630634996-0
Structure
Show compound
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 22 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-7589837299-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9630634996-0.sdf |
| SMILES | MCULE-9630634996-0.smiles |
| Standard InChI | MCULE-9630634996-0.inchi |
| InChIKey | MCULE-9630634996-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489160943 | 97 | As is | in stock |
| P-893222961 | 95 | As is | in stock |
| P-617651364 | 90 | As is | in stock |
| P-617322855 | 90 | As is | in stock |
| P-24169210 | 95 | As is | 300 mg |
| P-852449549 | N/A | As is | in stock |
| P-869063348 | 95 | As is | by synthesis |
| P-13394119 | 92 | As is | 300 mg |
| P-500376002 | 98 | As is | by synthesis |
| P-867596447 | 98 | Main component | in stock |
| P-875754821 | N/A | Main component | in stock |
| P-869209764 | 95 | Main component | in stock |
| P-901361035 | 95 | Main component | by synthesis |
| P-577201543 | 90 | Main component | 81 mg |
| P-612674678 | 90 | Main component | in stock |
| P-675255321 | 95 | Main component | by synthesis |
| P-502862673 | 90 | Main component | in stock |
| P-675505708 | 95 | Main component | in stock |
| P-874457361 | 95 | Main component | by synthesis |
| P-19523627 | 90 | Main component | in stock |
| P-33907112 | 90 | Main component | in stock |
| P-502354018 | 90 | Main component | in stock |
| P-888433455 | 94 | Main component | by resynthesis (? - ? days) |
| P-611379950 | 90 | Main component | in stock |
| P-1110853 | 90 | Main component | 207 mg |
| P-893664938 | 95 | Main component | by synthesis |
| P-867447986 | N/A | Main component as a main component | by synthesis |
| P-867494195 | N/A | Main component as a main component | by synthesis |
| P-901547258 | 95 | Main component as a main component | by synthesis |
| P-878239996 | 98 | Main component as a main component | in stock |
| P-588710992 | 97 | Main component as a main component | unavailable |
| P-862384311 | 95 | Main component as a main component | 10 g |
| P-519759937 | 95 | Main component as a main component | 178.3 g |
| P-428054959 | 95 | Main component as a main component | 178.3 kg |
| P-869050309 | 95 | Main component as a main component | by synthesis |
| P-855223694 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 316.379 |
| logP | 1.8015 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 139.33 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.4707 |
| Atoms | 41 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 20 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
