MCULE-1650960999
- 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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 working days | Get Quote |
- 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-1650960999.sdf |
| SMILES | MCULE-1650960999.smiles |
| Standard InChI | MCULE-1650960999.inchi |
| InChIKey | MCULE-1650960999.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587038 | 97 | As is | in stock |
| P-875745636 | N/A | As is | in stock |
| P-535627405 | 95 | As is | in stock |
| P-505391731 | 98 | As is | in stock |
| P-903076745 | 98 | As is | 1000 g |
| P-905478090 | 97 | As is | 1000 g |
| P-893520979 | 90 | As is | 9.83863 kg |
| P-580200050 | 95 | As is | 4 g |
| P-606920797 | N/A | As is | in stock |
| P-596931629 | 98 | As is | 5 kg |
| P-494349732 | 95 | As is | 20.32 g |
| P-864106899 | 95 | As is | in stock |
| P-580705347 | 97 | As is | 1.16 kg |
| P-901457152 | 95 | As is | by synthesis |
| P-851269592 | 95 | As is | by synthesis |
| P-868557828 | 98 | As is | in stock |
| P-580408346 | 95 | As is | by resynthesis (? - ? days) |
| P-861980419 | 97 | As is | 7.24843 kg |
| P-905335697 | 97 | As is | 61 g |
| P-888312998 | N/A | As is | in stock |
| P-870655735 | N/A | As is | in stock |
| P-454404898 | 97 | As is | 100 g |
| P-613362682 | 95 | As is | 500 g |
| P-580513588 | 97 | As is | 180 g |
| P-852380114 | N/A | As is | in stock |
| P-888895076 | N/A | As is | in stock |
| P-500397612 | 98 | As is | by synthesis |
| P-885560720 | 95 | As is | by synthesis |
| P-613814770 | 97 | As is | in stock |
| P-596768111 | 97 | As is | 772 g |
| P-906772842 | 98 | As is | by synthesis |
| P-611440960 | 90 | As is | in stock |
| P-893897066 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 73.889 |
| logP | -0.5209 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 20.8626 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| 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 |

