Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9476030813
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-9476030813.sdf |
| SMILES | MCULE-9476030813.smiles |
| Standard InChI | MCULE-9476030813.inchi |
| InChIKey | MCULE-9476030813.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661218 | 98 | As is | in stock |
| P-867417155 | N/A | As is | by synthesis |
| P-875829882 | N/A | As is | in stock |
| P-505354127 | 98 | As is | in stock |
| P-869319148 | 95 | As is | in stock |
| P-903205646 | 98 | As is | 300 g |
| P-606835859 | N/A | As is | in stock |
| P-489192767 | 97 | As is | in stock |
| P-596972537 | 98 | As is | 147.23 g |
| P-864184347 | 95 | As is | in stock |
| P-871220350 | N/A | As is | by resynthesis (? - ? days) |
| P-893225561 | 95 | As is | in stock |
| P-505576019 | 98 | As is | in stock |
| P-851241005 | 95 | As is | by synthesis |
| P-868596030 | 98 | As is | in stock |
| P-579802978 | 90 | As is | in stock |
| P-580089176 | 95 | As is | 730 mg |
| P-862056860 | N/A | As is | 15.666 g |
| P-870652274 | N/A | As is | in stock |
| P-505515141 | 95 | As is | in stock |
| P-580044899 | 90 | As is | in stock |
| P-580006371 | 95 | As is | in stock |
| P-488556079 | 92 | As is | in stock |
| P-488547240 | 90 | As is | in stock |
| P-524441543 | 97 | As is | 481 mg |
| P-608097614 | 95 | As is | 25 g |
| P-852520067 | N/A | As is | in stock |
| P-854716750 | 95 | As is | in stock |
| P-901019725 | 95 | As is | in stock |
| P-474021990 | 95 | As is | in stock |
| P-608275817 | 98 | As is | in stock |
| P-674828872 | 90 | As is | 730 mg |
| P-620221179 | 95 | As is | 730 mg |
| P-454366847 | 92 | As is | in stock |
| P-500374551 | 98 | As is | by synthesis |
| P-856072712 | 95 | As is | in stock |
| P-23969002 | 90 | As is | in stock |
| P-579711677 | N/A | As is | in stock |
| P-464630740 | 95 | As is | by synthesis |
| P-892288297 | 95 | As is | 952 mg |
| P-888631987 | 95 | As is | 952 mg |
| P-873223301 | 90 | As is | in stock |
| P-611419498 | 90 | As is | in stock |
| P-1885960 | 90 | As is | 1.006 g |
| P-3226702 | 90 | As is | 1.006 g |
| P-666970109 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 273.712 |
| logP | 4.1626 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 77.1665 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
