Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4442165428-0
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 | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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.
-
MCULE-8462111005-0
- Component type: Main
-
MCULE-4313923053-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4442165428-0.sdf |
| SMILES | MCULE-4442165428-0.smiles |
| Standard InChI | MCULE-4442165428-0.inchi |
| InChIKey | MCULE-4442165428-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605021 | 95 | As is | in stock |
| P-875763244 | N/A | As is | in stock |
| P-579760612 | 98 | As is | in stock |
| P-881671761 | 95 | As is | in stock |
| P-903099721 | 98 | As is | 200 g |
| P-606857703 | N/A | As is | in stock |
| P-489210608 | 97 | As is | in stock |
| P-596960417 | 95 | As is | 200 g |
| P-872726653 | 98 | As is | in stock |
| P-494342832 | 95 | As is | by resynthesis (? - ? days) |
| P-864152188 | 95 | As is | in stock |
| P-889740978 | 95 | As is | 30 g |
| P-901414666 | 95 | As is | in stock |
| P-517093979 | 90 | As is | in stock |
| P-851245766 | 95 | As is | by synthesis |
| P-868614120 | 95 | As is | in stock |
| P-580300459 | 95 | As is | by resynthesis (? - ? days) |
| P-862031364 | 95 | As is | 63.08 g |
| P-905319824 | 95 | As is | in stock |
| P-596564616 | 97 | As is | 25 g |
| P-852467115 | N/A | As is | in stock |
| P-904059798 | 95 | As is | by synthesis |
| P-868743804 | 95 | As is | in stock |
| P-889868207 | 95 | As is | by synthesis |
| P-873228209 | 90 | As is | in stock |
| P-33181668 | 90 | As is | 1000 mg |
| P-906904066 | 98 | As is | in stock |
| P-611349262 | 90 | As is | in stock |
| P-615412322 | 95 | As is | in stock |
| P-855159476 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 89.050 |
| logP | -0.7434 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 80.39 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 16.4072 |
| Atoms | 9 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
