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DDD100097

CAT: 0931-T23973-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23973-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215012-74-0
Target
Others, DNA/RNA Synthesis, Parasite
Related Pathways
Others, Microbiology/Virology, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9956
Bioactivity
DDD100097 is a potent N-myristoyltransferase inhibitor with potential inhibitory effects on Trypanosoma brucei, which can be used to study neurological disorders.
Smiles
N(S(=O)(=O)C1=C(Cl)C=C(CCCC2CCN(C)CC2)C=C1Cl)(C(F)F)C3=C(C)N(C)N=C3C
Molecular Formula
C22H30Cl2F2N4O2S
Molecular Weight
523.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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
M33979-01DDD100097

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