Basic information
- CAS
909859-19-4- Standard SMILES
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1- InChIKey
FQICFDBMQBCJDT-UHFFFAOYSA-N- Molecular formula
- C17H15N3O5S
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.07324176
Overview
Benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester is a benzoate ester.
Names & identifiers
- Preferred name
- Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)-1H-pyrazol-3-yl ester
- IUPAC
- [5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoate
- English name
- Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)-1H-pyrazol-3-yl ester
- Molecular formula
- C17H15N3O5S
- Molecular weight
- 373.38
Names & synonyms
909859-19-4SID-852843Benzoic acid 5-amino-1-(4-methoxy-benzenesulfonyl)-1H-pyrazol-3-yl esterSID 852843[5-amino-1-(4-methoxyphenyl)sulfonylpyrazol-3-yl] benzoateML024DENV2-IN-1MLS0000338985-Amino-1-((4-methoxyphenyl)sulfonyl)-1H-pyrazol-3-yl benzoateSMR000014915benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] esterCHEMBL569561
Show more names
1H-Pyrazol-3-ol, 5-amino-1-[(4-methoxyphenyl)sulfonyl]-, 3-benzoate
cid_655490orb1744436BDBM35491CHEBI:92284DTXSID30349611GLXC-02273GLXC-15376HMS2355F20
Database identifiers
- CAS
909859-19-4- PubChem CID
- 655490
- DTXSID
DTXSID30349611- ChEMBL
CHEMBL569561- ChEBI
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: >10mg/mL
- form
- powder
- color
- white to off-white
- WGK Germany
- nwg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- nwg
Chemistry & industry
Applications
UsesSID-852843 is a WNV NS2B-NS3 proteinase inhibitor. SID-852843 can inhibit WNV NS2B-NS3 proteinase activity with IC50 value of 0.105 μM. SID-852843 can be used for the research of virus infection[1].
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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