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ML-291

CAT: 0607-C5358-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C5358-25Size:25 mg
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Description
apoptosis inducer
CAS Number
1523437-16-2
Product Name Alternative
N-[4-[(4-chloro-1-piperidinyl)sulfonyl]phenyl]-5-nitro-2-furancarboxamide
Field of Research
Apoptosis Apoptosis Inducers
Purity
0.98
Form
A crystalline solid
Solubility
≤1mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
ClC1CCN(S(C2=CC=C(NC(C3=CC=C([N+]([O-])=O)O3)=O)C=C2)(=O)=O)CC1
Molecular Formula
C16H16ClN3O6S
Molecular Weight
413.8
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide
CAS Number1523437-16-2
PubChem CID52940465
IUPAC NameN-[4-(4-chloropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide
Molecular FormulaC16H16ClN3O6S
Molecular Weight413.8
XLogP2.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity648
SMILES
C1CN(CCC1Cl)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C16H16ClN3O6S/c17-11-7-9-19(10-8-11)27(24,25)13-3-1-12(2-4-13)18-16(21)14-5-6-15(26-14)20(22)23/h1-6,11H,7-10H2,(H,18,21)
InChIKey
XKMLYHZJKCRLOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide
CAS: 1523437-16-2
CID: 52940465
Formula: C16H16ClN3O6S
MW: 413.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass413.0448341
Monoisotopic Mass413.0448341
Topological Polar Surface Area134 Ų
Heavy Atom Count27
Formal Charge0
Complexity648
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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