Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8434072680
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 | 65 USD | 95 | 10 working days | Get Quote |
| 5 mg | 65 USD | 95 | 10 working days | Get Quote |
| 10 mg | 65 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-8434072680.sdf |
| SMILES | MCULE-8434072680.smiles |
| Standard InChI | MCULE-8434072680.inchi |
| InChIKey | MCULE-8434072680.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886561835 | 98 | As is | in stock |
| P-890146180 | N/A | As is | in stock |
| P-615721284 | 95 | As is | in stock |
| P-903076036 | 99 | As is | 50 g |
| P-904312813 | 90 | As is | 50 g |
| P-851642660 | N/A | As is | by synthesis |
| P-489179874 | 97 | As is | in stock |
| P-619198546 | 99 | As is | 50 g |
| P-494346362 | 95 | As is | 4.5 g |
| P-864201706 | 95 | As is | in stock |
| P-590972549 | 98 | As is | by synthesis |
| P-504752718 | 90 | As is | 5 mg |
| P-4119210 | 90 | As is | 31 mg |
| P-868643103 | 98 | As is | in stock |
| P-580403290 | 95 | As is | by resynthesis (? - ? days) |
| P-454349606 | 95 | As is | 211 mg |
| P-454416179 | 95 | As is | 10 g |
| P-580490354 | N/A | As is | by synthesis |
| P-852457329 | N/A | As is | in stock |
| P-35202310 | 90 | As is | 4.28 kg |
| P-895255255 | 95 | As is | by synthesis |
| P-22824086 | 90 | As is | in stock |
| P-888227508 | 90 | As is | 7 mg |
| P-906766332 | 99 | As is | by synthesis |
| P-667018353 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.258 |
| logP | 2.3706 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 42.09 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.5842 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| 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 |
