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VCC234718

CAT: 0013-GTR19200257-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200257-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
VCC234718 is a small molecule compound exhibiting growth inhibition of Mycobacterium tuberculosis (Mtb) . It serves as a research tool for investigating tuberculosis in both in vitro and in vivo experimental models, aiding in the study of novel anti-tubercular agents.
CAS Number
1278553-16-4
Product Name Alternative
VCC 234718, VCC234718, VCC-234718
Field of Research
Infectious Disease & Virology
Purity
99.23% (May vary between batches)
Smiles
O=C (N1CCN (CC1) S (=O) (=O) C2=CC=CC=3C=NC=CC32) C4CCCCC4
Molecular Formula
C20H25N3O3S
Molecular Weight
387.5
Storage Conditions
-20°C
Notes
For research use only.

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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