Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7691714147
Compound
Show structures
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 | 83 USD | 97 | 8 working days | Get Quote |
| 5 mg | 83 USD | 97 | 8 working days | Get Quote |
| 10 mg | 115 USD | 98 | 12 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.
-
MCULE-3005295804
- Component type: Main
-
MCULE-4913945608
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7691714147.sdf |
| SMILES | MCULE-7691714147.smiles |
| Standard InChI | MCULE-7691714147.inchi |
| InChIKey | MCULE-7691714147.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-500395679 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-872722834 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-870652605 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
| P-608220539 | Glentham Life Sciences | Compounds maintained in stock | 97 | As a main component | in stock |
| P-608083269 | LabSeeker, Inc | Stock Collection | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1209.398 |
| logP | 3.3564 |
| H-bond acceptors | 28 |
| H-bond donors | 16 |
| Rotatable bonds | 42 |
| PSA | 429.04 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 327.4693 |
| Atoms | 171 |
| Rings | 6 |
| Heavy atoms | 87 |
| Hydrogen atoms | 84 |
| Heteroatoms | 28 |
| N/O atoms | 28 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 9 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
