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VCC234718

CAT: 1410-M34044-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34044-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VCC234718 is a molecule with growth inhibitory activity against Mycobacterium tuberculosis (Mtb) .
CAS Number
1278553-16-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
387.5
Molecular Formula
C20H25N3O3S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Cyclohexyl{4-[(Isoquinolin-5-Yl)sulfonyl]piperazin-1-Yl}methanone
CAS Number1278553-16-4
PubChem CID71589139
IUPAC Namecyclohexyl-(4-isoquinolin-5-ylsulfonylpiperazin-1-yl)methanone
Molecular FormulaC20H25N3O3S
Molecular Weight387.5
XLogP2.6
Topological Polar Surface Area79
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity619
SMILES
C1CCC(CC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4
InChI
InChI=1S/C20H25N3O3S/c24-20(16-5-2-1-3-6-16)22-11-13-23(14-12-22)27(25,26)19-8-4-7-17-15-21-10-9-18(17)19/h4,7-10,15-16H,1-3,5-6,11-14H2
InChIKey
RQGSIJUNMAAIRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclohexyl{4-[(Isoquinolin-5-Yl)sulfonyl]piperazin-1-Yl}methanone
CAS: 1278553-16-4
CID: 71589139
Formula: C20H25N3O3S
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass387.16166284
Monoisotopic Mass387.16166284
Topological Polar Surface Area79 Ų
Heavy Atom Count27
Formal Charge0
Complexity619
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

Alternative Products

CatalogName
MBS5774674VCC234718

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