Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4604041897
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
| Name | File |
|---|---|
| SDF | MCULE-4604041897.sdf |
| SMILES | MCULE-4604041897.smiles |
| Standard InChI | MCULE-4604041897.inchi |
| InChIKey | MCULE-4604041897.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604141 | 95 | As is | in stock |
| P-875762277 | N/A | As is | in stock |
| P-535626619 | 95 | As is | in stock |
| P-505351902 | 98 | As is | in stock |
| P-903098051 | 98 | As is | 1000 g |
| P-580237685 | 95 | As is | by synthesis |
| P-596960007 | 98 | As is | 1000 g |
| P-552040542 | 95 | As is | by resynthesis (? - ? days) |
| P-864184390 | 95 | As is | in stock |
| P-893233869 | 95 | As is | in stock |
| P-868592158 | 98 | As is | in stock |
| P-580402158 | 95 | As is | by resynthesis (? - ? days) |
| P-861987596 | 99 | As is | 7.55704 kg |
| P-905338334 | 99 | As is | 1.825 kg |
| P-870655958 | N/A | As is | in stock |
| P-505491385 | 95 | As is | in stock |
| P-488550935 | 90 | As is | in stock |
| P-855992357 | 98 | As is | 100 mg |
| P-524162947 | 98 | As is | 500 g |
| P-31256454 | 90 | As is | unavailable |
| P-856042477 | 90 | As is | unavailable |
| P-613284880 | 95 | As is | by synthesis |
| P-860795050 | N/A | As is | by synthesis |
| P-852444286 | N/A | As is | in stock |
| P-904721301 | 90 | As is | in stock |
| P-904073228 | 95 | As is | in stock |
| P-12384576 | 90 | As is | 1000 mg |
| P-492273887 | 95 | As is | 1000 mg |
| P-454369190 | 92 | As is | in stock |
| P-500373992 | 98 | As is | by synthesis |
| P-885524004 | 95 | As is | by synthesis |
| P-579331099 | 90 | As is | in stock |
| P-579705321 | N/A | As is | in stock |
| P-896079909 | N/A | As is | 2.05 g |
| P-502366931 | 90 | As is | in stock |
| P-3228352 | 90 | As is | unavailable |
| P-575330619 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 153.135 |
| logP | 2.132 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 66.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.253 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| 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 |
