Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4494939468
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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-4494939468.sdf |
| SMILES | MCULE-4494939468.smiles |
| Standard InChI | MCULE-4494939468.inchi |
| InChIKey | MCULE-4494939468.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604181 | 98 | As is | in stock |
| P-875762121 | N/A | As is | in stock |
| P-505348420 | 98 | As is | in stock |
| P-903098141 | 98 | As is | 1.2 kg |
| P-901165700 | 98 | As is | in stock |
| P-606944407 | N/A | As is | in stock |
| P-489179652 | 97 | As is | in stock |
| P-596960019 | 98 | As is | 700 g |
| P-895936680 | 95 | As is | by resynthesis (? - ? days) |
| P-864110628 | 98 | As is | in stock |
| P-481170162 | 95 | As is | 58 g |
| P-584628697 | 98 | As is | 260 g |
| P-851279008 | 95 | As is | by synthesis |
| P-868582375 | 98 | As is | in stock |
| P-580292688 | 95 | As is | by resynthesis (? - ? days) |
| P-580285901 | N/A | As is | by resynthesis (? - ? days) |
| P-905335850 | 97 | As is | 155 g |
| P-861983590 | 97 | As is | 1.21396 kg |
| P-890223600 | 90 | As is | in stock |
| P-890199718 | 90 | As is | in stock |
| P-505535337 | 95 | As is | in stock |
| P-505544083 | 95 | As is | in stock |
| P-500157435 | 96 | As is | in stock |
| P-454380004 | 95 | As is | 100 g |
| P-18789284 | 95 | As is | 52.067 g |
| P-579686571 | 95 | As is | by resynthesis (? - ? days) |
| P-613283857 | 95 | As is | by synthesis |
| P-860791040 | N/A | As is | by synthesis |
| P-852412072 | N/A | As is | in stock |
| P-519757951 | 97 | As is | 109.75 g |
| P-35249876 | 97 | As is | 109.75 kg |
| P-854740599 | 95 | As is | in stock |
| P-870920337 | 90 | As is | 100 mg |
| P-885517735 | 95 | As is | by synthesis |
| P-896074603 | N/A | As is | 222 mg |
| P-596747092 | 98 | As is | 1.25731 kg |
| P-502361494 | 90 | As is | in stock |
| P-888223372 | 90 | As is | 7 mg |
| P-906773308 | 97 | As is | by synthesis |
| P-611382608 | 90 | As is | in stock |
| P-886916050 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 177.156 |
| logP | 1.4549 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.5538 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| 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 |
