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NMS-859

CAT: 1410-M26335-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26335-01Size:2 mg
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Description
NMS-859 is an effective and covalent inhibitor of valosin-containing protein (VCP) /p97 with IC50s of 0.37 μM and 0.36 μM for wild-type VCP in the presence of 60 μM and 1 mM ATP in cells, respectively.
CAS Number
1449236-96-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
349.79
Molecular Formula
C15H12ClN3O3S
Notes
Research use only, not for human use.
Receptor
ADC Cytotoxin| Microtubule/Tubulin

Chemical Information

2-chloro-N-(3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)phenyl)acetamide
CAS Number1449236-96-7
PubChem CID71607189
IUPAC Name2-chloro-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl]acetamide
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.8
XLogP1.8
Topological Polar Surface Area96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity587
SMILES
C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)NC(=O)CCl
InChI
InChI=1S/C15H12ClN3O3S/c16-9-14(20)17-10-4-3-5-11(8-10)18-15-12-6-1-2-7-13(12)23(21,22)19-15/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKey
JWMFLBAPPIWNGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(3-((1,1-dioxidobenzo[d]isothiazol-3-yl)amino)phenyl)acetamide
CAS: 1449236-96-7
CID: 71607189
Formula: C15H12ClN3O3S
MW: 349.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.8
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass349.0287901
Monoisotopic Mass349.0287901
Topological Polar Surface Area96 Ų
Heavy Atom Count23
Formal Charge0
Complexity587
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