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CRS400393

CAT: 0013-GTR19206149-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206149-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CRS400393 is a potent small-molecule agent effective against mycobacterial pathogens, including M. abscessus, M. avium, M. intracellulare, and M. tuberculosis, with low MIC values. It serves as a valuable research tool for in vitro studies of nontuberculous mycobacteria and tuberculosis drug discovery.
CAS Number
2253175-64-1
Field of Research
Infectious Disease & Virology
Smiles
C (NC=1SC=2C (N1) =CC (Cl) =CC2Cl) (=O) C34CC (C) (CCC3) CCC4
Molecular Formula
C18H20Cl2N2OS
Molecular Weight
383.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide
CAS Number2253175-64-1
PubChem CID138319692
IUPAC NameN-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.3
XLogP6.4
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity507
SMILES
CC12CCCC(C1)(CCC2)C(=O)NC3=NC4=C(S3)C(=CC(=C4)Cl)Cl
InChI
InChI=1S/C18H20Cl2N2OS/c1-17-4-2-6-18(10-17,7-3-5-17)15(23)22-16-21-13-9-11(19)8-12(20)14(13)24-16/h8-9H,2-7,10H2,1H3,(H,21,22,23)
InChIKey
KHJLLQYNCQNVKV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5,7-dichloro-1,3-benzothiazol-2-yl)-5-methylbicyclo[3.3.1]nonane-1-carboxamide
CAS: 2253175-64-1
CID: 138319692
Formula: C18H20Cl2N2OS
MW: 383.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.3
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass382.0673398
Monoisotopic Mass382.0673398
Topological Polar Surface Area70.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity507
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
MBS3844093-01CRS400393
A19640-50CRS400393 50mg
A19640-25CRS400393 25mg
A19640-100CRS400393 100mg
A19640-10CRS400393 10mg
A19640-5CRS400393 5mg
A19640-1CRS400393 1mg

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