Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3724652059
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 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-3724652059.sdf |
| SMILES | MCULE-3724652059.smiles |
| Standard InChI | MCULE-3724652059.inchi |
| InChIKey | MCULE-3724652059.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549616 | 95 | As is | in stock |
| P-875706905 | N/A | As is | in stock |
| P-597025299 | 95 | As is | in stock |
| P-590401637 | 98 | As is | in stock |
| P-903033142 | 97 | As is | 50 g |
| P-893478073 | 90 | As is | 146.707 g |
| P-875893697 | N/A | As is | in stock |
| P-606866148 | N/A | As is | in stock |
| P-619139421 | 95 | As is | 50 g |
| P-494346611 | 95 | As is | 2.34 g |
| P-864103175 | 95 | As is | in stock |
| P-606956217 | 95 | As is | 6.35 g |
| P-851247093 | 95 | As is | by synthesis |
| P-868580828 | 98 | As is | in stock |
| P-580421973 | 95 | As is | by resynthesis (? - ? days) |
| P-861980449 | 95 | As is | 52.687 g |
| P-889113713 | 95 | As is | 750 mg |
| P-505519383 | 95 | As is | in stock |
| P-502444724 | 95 | As is | by synthesis |
| P-502789371 | 90 | As is | in stock |
| P-454312432 | 95 | As is | 629 mg |
| P-454399003 | 95 | As is | 1000 mg |
| P-608085461 | 95 | As is | unavailable |
| P-872722207 | N/A | As is | by synthesis |
| P-852450774 | N/A | As is | in stock |
| P-519751968 | 95 | As is | 140.7 g |
| P-35263478 | 95 | As is | 140.7 kg |
| P-863682067 | 95 | As is | in stock |
| P-617701643 | 90 | As is | 1.405 g |
| P-12898942 | 90 | As is | 1.405 g |
| P-1263959351 | 90 | As is | in stock |
| P-454050083 | 90 | As is | 11 mg |
| P-502339067 | 90 | As is | in stock |
| P-23335686 | 94 | As is | by resynthesis (? - ? days) |
| P-906761165 | 95 | As is | by synthesis |
| P-611365822 | 90 | As is | in stock |
| P-886938552 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.171 |
| logP | 0.9655 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 68.01 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.3183 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
