Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1656100749-0
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 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-1656100749-0.sdf |
| SMILES | MCULE-1656100749-0.smiles |
| Standard InChI | MCULE-1656100749-0.inchi |
| InChIKey | MCULE-1656100749-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867543573 | 99 | As is | in stock |
| P-875700924 | N/A | As is | in stock |
| P-869189260 | 95 | As is | in stock |
| P-505390679 | 98 | As is | in stock |
| P-903024576 | 97 | As is | 14.5 kg |
| P-901165517 | 98 | As is | in stock |
| P-580239393 | 95 | As is | by synthesis |
| P-606940043 | N/A | As is | in stock |
| P-596939072 | 97 | As is | 10 kg |
| P-864163110 | 95 | As is | in stock |
| P-580704631 | 98 | As is | 1.7 kg |
| P-4197676 | 85 | As is | 100 mg |
| P-448678096 | 90 | As is | 70 mg |
| P-868595453 | 97 | As is | in stock |
| P-861987457 | 99 | As is | 18.5815 kg |
| P-905338246 | 99 | As is | 501 g |
| P-870657123 | N/A | As is | in stock |
| P-502504894 | 95 | As is | by synthesis |
| P-492236440 | 95 | As is | in stock |
| P-488549486 | 90 | As is | in stock |
| P-13745849 | 95 | As is | 300 mg |
| P-575366099 | 97 | As is | 1.012 g |
| P-31138839 | 90 | As is | 5 g |
| P-856043729 | 90 | As is | 5 g |
| P-613281424 | 95 | As is | by synthesis |
| P-666781413 | 90 | As is | 197 mg |
| P-580490989 | 98 | As is | by synthesis |
| P-852396081 | N/A | As is | in stock |
| P-35205780 | 90 | As is | 1.356 kg |
| P-854713743 | 95 | As is | in stock |
| P-871066583 | 95 | As is | in stock |
| P-608271583 | 98 | As is | in stock |
| P-454368166 | 92 | As is | in stock |
| P-864672812 | 92 | As is | 300 mg |
| P-1263958868 | 90 | As is | in stock |
| P-885523834 | 95 | As is | by synthesis |
| P-19612585 | 90 | As is | in stock |
| P-579711909 | N/A | As is | in stock |
| P-899773124 | N/A | As is | unavailable |
| P-851381144 | 98 | As is | 2.75 kg |
| P-869107841 | 95 | As is | by synthesis |
| P-892286427 | 95 | As is | unavailable |
| P-888626872 | 95 | As is | 202 mg |
| P-22701962 | 90 | As is | in stock |
| P-502328951 | 90 | As is | in stock |
| P-3227957 | 90 | As is | 1.435 g |
| P-2377539 | 90 | As is | 1.435 g |
| P-615448737 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.202 |
| logP | 1.8133 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 105.84 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.3957 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
