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DVR-01

CAT: 0931-T27221-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27221-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
330461-34-2
Target
HBV
Related Pathways
Microbiology/Virology
Purity
0.9995
Bioactivity
DVR-01 is an HBV capsid inhibitor and can be used in studies about the treatment of Hepatitis B virus (HBV) infection and related conditions.
Smiles
S(=O)(=O)(C1=CC(C(NCC2=CC=CC=C2)=O)=CC=C1Cl)N3CCCCCC3
Molecular Formula
C20H23ClN2O3S
Molecular Weight
406.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(azepan-1-ylsulfonyl)-N-benzyl-4-chlorobenzamide
CAS Number330461-34-2
PubChem CID1079083
IUPAC Name3-(azepan-1-ylsulfonyl)-N-benzyl-4-chlorobenzamide
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.9
XLogP3.7
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H23ClN2O3S/c21-18-11-10-17(20(24)22-15-16-8-4-3-5-9-16)14-19(18)27(25,26)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,22,24)
InChIKey
PBAWFYZFSXYUOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(azepan-1-ylsulfonyl)-N-benzyl-4-chlorobenzamide
CAS: 330461-34-2
CID: 1079083
Formula: C20H23ClN2O3S
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass406.1117915
Monoisotopic Mass406.1117915
Topological Polar Surface Area74.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
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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CatalogName
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T3637COS-7-DRA1*01:01/DRB5*01:01 Cell Line
T3649COS-7-DRA1*01:01/DRB3*01:01 Cell Line
T3648COS-7-DRA1*01:01/DRB4*01:01 Cell Line
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