Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4419027969-0
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 | 4 USD | 95 | 10 working days | Get Quote |
| 5 mg | 4 USD | 95 | 10 working days | Get Quote |
| 10 mg | 4 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-4419027969-0.sdf |
| SMILES | MCULE-4419027969-0.smiles |
| Standard InChI | MCULE-4419027969-0.inchi |
| InChIKey | MCULE-4419027969-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867579234 | 98 | As is | in stock |
| P-875739237 | N/A | As is | in stock |
| P-869180584 | 95 | As is | in stock |
| P-505390502 | 98 | As is | in stock |
| P-903068989 | 98 | As is | 200 g |
| P-905482274 | 98 | As is | 100 g |
| P-580200275 | 95 | As is | 15 g |
| P-606865278 | N/A | As is | in stock |
| P-489120758 | 97 | As is | in stock |
| P-596952238 | 98 | As is | 75 g |
| P-494345977 | 95 | As is | 350 mg |
| P-864120183 | 95 | As is | in stock |
| P-580695618 | 98 | As is | 176 g |
| P-492248593 | 95 | As is | in stock |
| P-454632985 | 90 | As is | in stock |
| P-436445894 | 95 | As is | 50 g |
| P-19870030 | 90 | As is | in stock |
| P-878235876 | 95 | As is | by synthesis |
| P-868578546 | 96 | As is | in stock |
| P-580416524 | 95 | As is | by resynthesis (? - ? days) |
| P-905335627 | 97 | As is | 125 g |
| P-861980560 | 97 | As is | 315.725 g |
| P-870657761 | N/A | As is | in stock |
| P-505491688 | 95 | As is | in stock |
| P-502823418 | 90 | As is | in stock |
| P-492214958 | 95 | As is | in stock |
| P-488545641 | 90 | As is | in stock |
| P-12971801 | 95 | As is | 300 mg |
| P-454328606 | 95 | As is | 100 mg |
| P-454406700 | 95 | As is | 100 g |
| P-615646764 | 95 | As is | in stock |
| P-895019943 | 85 | As is | in stock |
| P-580493323 | 95 | As is | by synthesis |
| P-852396143 | N/A | As is | in stock |
| P-519761854 | 97 | As is | 256.1 g |
| P-854735901 | 95 | As is | in stock |
| P-12360480 | 90 | As is | 1000 mg |
| P-492273789 | 95 | As is | 1000 mg |
| P-454365837 | 92 | As is | in stock |
| P-13247007 | 92 | As is | 300 mg |
| P-500372587 | 98 | As is | by synthesis |
| P-885517732 | 95 | As is | by synthesis |
| P-18865286 | 90 | As is | in stock |
| P-596782213 | 98 | As is | 282 g |
| P-22637689 | 90 | As is | in stock |
| P-502338240 | 90 | As is | in stock |
| P-888433044 | 94 | As is | by resynthesis (? - ? days) |
| P-906774410 | 98 | As is | by synthesis |
| P-855348923 | 90 | As is | in stock |
| P-3242447 | 90 | As is | 1.944 g |
| P-615395363 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 159.184 |
| logP | 2.2888 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.86 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.6522 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
