Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6613339699
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 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-6613339699.sdf |
| SMILES | MCULE-6613339699.smiles |
| Standard InChI | MCULE-6613339699.inchi |
| InChIKey | MCULE-6613339699.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588508 | 97 | As is | in stock |
| P-867599739 | 95 | As is | in stock |
| P-902999296 | 95 | As is | in stock |
| P-613854260 | 96 | As is | in stock |
| P-893523076 | 90 | As is | 4.251 g |
| P-893524966 | 90 | As is | 501.59 g |
| P-580235253 | 95 | As is | by synthesis |
| P-901663166 | N/A | As is | in stock |
| P-851954848 | N/A | As is | in stock |
| P-865910798 | 98 | As is | 500 g |
| P-875889596 | N/A | As is | 4 g |
| P-872728875 | 98 | As is | in stock |
| P-864154675 | 95 | As is | in stock |
| P-905470085 | 95 | As is | in stock |
| P-901554986 | 95 | As is | by synthesis |
| P-893223532 | 95 | As is | in stock |
| P-675219491 | 95 | As is | in stock |
| P-855960950 | 97 | As is | 100 g |
| P-31179709 | 90 | As is | 5 g |
| P-608279927 | 98 | As is | in stock |
| P-889867979 | 95 | As is | by synthesis |
| P-617403791 | N/A | As is | in stock |
| P-580050964 | 95 | As is | by synthesis |
| P-869166620 | 95 | As is | by synthesis |
| P-869177040 | 95 | As is | in stock |
| P-892305785 | 95 | As is | in stock |
| P-904255072 | 95 | As is | unavailable |
| P-892294500 | 95 | As is | 999 mg |
| P-892336058 | 95 | As is | 999 mg |
| P-888660951 | 95 | As is | 978 mg |
| P-502366117 | 90 | As is | in stock |
| P-33163600 | 90 | As is | 1000 mg |
| P-854981247 | 90 | As is | in stock |
| P-893965565 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.222 |
| logP | 2.998 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.3125 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
