Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2658670663
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 | 27 USD | 98 | 16 working days | Get Quote |
| 5 mg | 27 USD | 98 | 16 working days | Get Quote |
| 10 mg | 40 USD | 98 | 16 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-2658670663.sdf |
| SMILES | MCULE-2658670663.smiles |
| Standard InChI | MCULE-2658670663.inchi |
| InChIKey | MCULE-2658670663.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616420 | 98 | As is | in stock |
| P-875777715 | N/A | As is | in stock |
| P-590360325 | 98 | As is | in stock |
| P-903120637 | 99 | As is | 600 mg |
| P-1264047901 | 95 | As is | in stock |
| P-893618337 | 90 | As is | 1.065 g |
| P-606910072 | N/A | As is | in stock |
| P-489225795 | 97 | As is | in stock |
| P-596963784 | 98 | As is | 600 mg |
| P-580195244 | 98 | As is | in stock |
| P-868544695 | 99 | As is | in stock |
| P-590621971 | 99 | As is | 35 mg |
| P-851249291 | 95 | As is | by synthesis |
| P-860799054 | 98 | As is | in stock |
| P-861490338 | 95 | As is | by synthesis |
| P-579479346 | 95 | As is | in stock |
| P-675215787 | 95 | As is | in stock |
| P-596561748 | 97 | As is | 11 mg |
| P-852523078 | N/A | As is | in stock |
| P-854719058 | 95 | As is | in stock |
| P-875883501 | 95 | As is | in stock |
| P-878640710 | 98 | As is | in stock |
| P-885543151 | 95 | As is | by synthesis |
| P-579712331 | N/A | As is | in stock |
| P-869136856 | 95 | As is | by synthesis |
| P-892292336 | 95 | As is | unavailable |
| P-888644955 | 95 | As is | 126 mg |
| P-868492806 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 472.586 |
| logP | 4.7465 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 127.48 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 133.1927 |
| Atoms | 53 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
