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CCC-0975

CAT: 0013-GTR19263147-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263147-02Size:50 mg
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Description
CCC-0975 is an inhibitor of hepatitis B virus (HBV) with an EC50 of 10 μM. It interferes with the conversion of relaxed circular DNA (rcDNA) to covalently closed circular DNA (cccDNA) and reduces cccDNA and its precursor deproteinized rcDNA (DP-rcDNA), without promoting their degradation inside cells. CCC-0975 holds potential for chronic hepatitis B research.
CAS Number
432018-03-6
Field of Research
Infectious Disease & Virology
Smiles
O=C (NCC=1C=CN=CC1) CN (C2=CC (=CC=C2Cl) C (F) (F) F) S (=O) (=O) C=3C=CC=CC3
Molecular Formula
C21H17ClF3N3O3S
Molecular Weight
483.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(benzenesulfonyl-(2-chloro-5-trifluoromethyl-phenyl)-amino)-N-pyridin-4-ylmethyl-acetamide

structure in first source

CAS Number432018-03-6
PubChem CID1332406
IUPAC Name2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
Molecular FormulaC21H17ClF3N3O3S
Molecular Weight483.9
XLogP3.9
Topological Polar Surface Area87.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity720
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C21H17ClF3N3O3S/c22-18-7-6-16(21(23,24)25)12-19(18)28(32(30,31)17-4-2-1-3-5-17)14-20(29)27-13-15-8-10-26-11-9-15/h1-12H,13-14H2,(H,27,29)
InChIKey
JKZSHWDPOQYSJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(benzenesulfonyl-(2-chloro-5-trifluoromethyl-phenyl)-amino)-N-pyridin-4-ylmethyl-acetamide
CAS: 432018-03-6
CID: 1332406
Formula: C21H17ClF3N3O3S
MW: 483.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.9
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass483.0631248
Monoisotopic Mass483.0631248
Topological Polar Surface Area87.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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