Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1692997537
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 | 4 USD | 95 | 10 working days | Get Quote |
| 5 mg | 4 USD | 95 | 10 working days | Get Quote |
| 10 mg | 4 USD | 95 | 10 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-1692997537.sdf |
| SMILES | MCULE-1692997537.smiles |
| Standard InChI | MCULE-1692997537.inchi |
| InChIKey | MCULE-1692997537.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563055 | 98 | As is | in stock |
| P-875722411 | N/A | As is | in stock |
| P-535626889 | 98 | As is | in stock |
| P-505348278 | 99 | As is | in stock |
| P-903051743 | 98 | As is | 2 kg |
| P-580199584 | 95 | As is | 4 g |
| P-606951924 | N/A | As is | in stock |
| P-489196103 | 97 | As is | in stock |
| P-596928127 | 98 | As is | 2 kg |
| P-494347860 | 95 | As is | 651.3 g |
| P-864098999 | 97 | As is | in stock |
| P-580721173 | 98 | As is | 1.395 kg |
| P-868577050 | 98 | As is | in stock |
| P-580421663 | 95 | As is | by resynthesis (? - ? days) |
| P-905337728 | 99 | As is | 310 g |
| P-861986568 | 99 | As is | 18.2438 kg |
| P-870655671 | N/A | As is | in stock |
| P-505491219 | 95 | As is | in stock |
| P-502528263 | 95 | As is | by synthesis |
| P-454391751 | 97 | As is | 1000 g |
| P-454298064 | 97 | As is | 100 mg |
| P-579612995 | 95 | As is | 5 kg |
| P-881174936 | 95 | As is | by synthesis |
| P-580512863 | 98 | As is | 750 g |
| P-852442887 | N/A | As is | in stock |
| P-854735918 | 95 | As is | in stock |
| P-500373799 | 98 | As is | by synthesis |
| P-889879023 | 95 | As is | by synthesis |
| P-596744099 | 98 | As is | 3.257 kg |
| P-906775120 | 98 | As is | by synthesis |
| P-611384372 | 90 | As is | in stock |
| P-480861957 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.066 |
| logP | 3.6023 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.648 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
