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DDD100097

CAT: 1410-M33979-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33979-02Size:5 mg
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Description
DDD100097 is a potent N-myristoyltransferase inhibitor with potential inhibitory effects on Trypanosoma brucei, which can be used to study neurological disorders.
CAS Number
1215012-74-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
523.47
Molecular Formula
C22H30Cl2F2N4O2S
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

2,6-dichloro-N-(difluoromethyl)-4-(3-(1-methylpiperidin-4-yl)propyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide

structure in first source

CAS Number1215012-74-0
PubChem CID58561169
IUPAC Name2,6-dichloro-N-(difluoromethyl)-4-[3-(1-methylpiperidin-4-yl)propyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
Molecular FormulaC22H30Cl2F2N4O2S
Molecular Weight523.5
XLogP6.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity724
SMILES
CC1=C(C(=NN1C)C)N(C(F)F)S(=O)(=O)C2=C(C=C(C=C2Cl)CCCC3CCN(CC3)C)Cl
InChI
InChI=1S/C22H30Cl2F2N4O2S/c1-14-20(15(2)29(4)27-14)30(22(25)26)33(31,32)21-18(23)12-17(13-19(21)24)7-5-6-16-8-10-28(3)11-9-16/h12-13,16,22H,5-11H2,1-4H3
InChIKey
HLJCVRXGZMOFDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-dichloro-N-(difluoromethyl)-4-(3-(1-methylpiperidin-4-yl)propyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CAS: 1215012-74-0
CID: 58561169
Formula: C22H30Cl2F2N4O2S
MW: 523.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass522.1434591
Monoisotopic Mass522.1434591
Topological Polar Surface Area66.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity724
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
T23973-01DDD100097

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