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KSK213

CAT: 0013-GTR19209892-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209892-01Size:25 mg
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Description
KSK213 is a potent small-molecule inhibitor of Chlamydia trachomatis infectivity, demonstrating an EC50 of 60 nM against multiple serovars. It shows selectivity by not affecting key commensal flora species or host cell viability at 25 μM. This compound is a valuable research tool for studying chlamydial biology and developing novel anti-infective strategies in vitro.
CAS Number
1876429-73-0
Field of Research
Infectious Disease & Virology
Smiles
C (C=1C (=C2N (C (C (NC3=CC=CC=C3) =O) CS2) C (=O) C1N) C4CC4) C=5C6=C (C=CC5) C=CC=C6
Molecular Formula
C28H25N3O2S
Molecular Weight
467.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CAS Number1876429-73-0
PubChem CID123282269
IUPAC Name6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
Molecular FormulaC28H25N3O2S
Molecular Weight467.6
XLogP4.5
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity901
SMILES
C1CC1C2=C3N(C(CS3)C(=O)NC4=CC=CC=C4)C(=O)C(=C2CC5=CC=CC6=CC=CC=C65)N
InChI
InChI=1S/C28H25N3O2S/c29-25-22(15-19-9-6-8-17-7-4-5-12-21(17)19)24(18-13-14-18)28-31(27(25)33)23(16-34-28)26(32)30-20-10-2-1-3-11-20/h1-12,18,23H,13-16,29H2,(H,30,32)
InChIKey
MCGQUSRJFYNODH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-amino-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CAS: 1876429-73-0
CID: 123282269
Formula: C28H25N3O2S
MW: 467.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight467.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass467.16674822
Monoisotopic Mass467.16674822
Topological Polar Surface Area101 Ų
Heavy Atom Count34
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812646KSK213

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