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SAMT-247

CAT: 1410-M16179-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SAMT-247 potent HIV-1 nucleocapsid protein NCp7 inhibitor with EC50 of 0.6 uM with low cellular toxicity (TC50>100 uM) in cultured and primary cells.
CAS Number
850715-59-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
266.32
Molecular Formula
C12H14N2O3S
Notes
Research use only, not for human use.
Receptor
HIV

Chemical Information

N-[2-(Acetylthio)benzoyl]-beta-alaninamide
CAS Number850715-59-2
PubChem CID46897926
IUPAC NameS-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] ethanethioate
Molecular FormulaC12H14N2O3S
Molecular Weight266.32
XLogP0.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity333
SMILES
CC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N
InChI
InChI=1S/C12H14N2O3S/c1-8(15)18-10-5-3-2-4-9(10)12(17)14-7-6-11(13)16/h2-5H,6-7H2,1H3,(H2,13,16)(H,14,17)
InChIKey
UNACIIIRYSLSOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(Acetylthio)benzoyl]-beta-alaninamide
CAS: 850715-59-2
CID: 46897926
Formula: C12H14N2O3S
MW: 266.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.32
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass266.07251349
Monoisotopic Mass266.07251349
Topological Polar Surface Area115 Ų
Heavy Atom Count18
Formal Charge0
Complexity333
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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