Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7698961997-1
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 | 20 USD | 97 | 15 working days | Get Quote |
| 5 mg | 20 USD | 97 | 15 working days | Get Quote |
| 10 mg | 20 USD | 97 | 15 working days | Get Quote |
- 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-7698961997-1.sdf |
| SMILES | MCULE-7698961997-1.smiles |
| Standard InChI | MCULE-7698961997-1.inchi |
| InChIKey | MCULE-7698961997-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270294520 | 97 | As is | in stock |
| P-856057443 | 95 | As is | by synthesis |
| P-606872703 | N/A | As is | in stock |
| P-596937131 | 97 | As is | 25 g |
| P-864137254 | 95 | As is | in stock |
| P-580709050 | 97 | As is | 66.129 g |
| P-901565711 | 95 | As is | by synthesis |
| P-861282093 | 97 | As is | in stock |
| P-868631291 | 97 | As is | in stock |
| P-580279023 | 95 | As is | by resynthesis (? - ? days) |
| P-1273138823 | 97 | As is | 125 g |
| P-524194019 | 95 | As is | 1000 mg |
| P-596548302 | 95 | As is | 100 mg |
| P-596768471 | 97 | As is | 75 g |
| P-1271718526 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 124.141 |
| logP | 0.3323 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 45.75 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.6307 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
