Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8685001700-0
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 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-8685001700-0.sdf |
| SMILES | MCULE-8685001700-0.smiles |
| Standard InChI | MCULE-8685001700-0.inchi |
| InChIKey | MCULE-8685001700-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-596970357 | 98 | As is | 3 kg |
| P-608404897 | 90 | As is | in stock |
| P-448677973 | 90 | As is | 192 mg |
| P-436445539 | 90 | As is | 26.4 g |
| P-425015821 | 90 | As is | 368 mg |
| P-425206485 | 90 | As is | in stock |
| P-868573218 | 98 | As is | in stock |
| P-862057088 | 97 | As is | 2.92354 kg |
| P-905350087 | 97 | As is | 230 g |
| P-13755973 | 90 | As is | 300 mg |
| P-895854683 | 95 | As is | by synthesis |
| P-454370954 | 92 | As is | in stock |
| P-491069993 | 95 | As is | by synthesis |
| P-519828106 | 90 | As is | in stock |
| P-502439035 | 90 | As is | in stock |
| P-855345840 | 90 | As is | in stock |
| P-464682459 | 90 | As is | 125 mg |
| P-24820012 | 90 | As is | 125 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 85.065 |
| logP | -0.902 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 61.54 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 19.2084 |
| Atoms | 9 |
| Rings | 1 |
| Heavy atoms | 6 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
