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DDD100097

CAT: 0013-GTR19200380-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200380-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DDD100097
CAS Number
1215012-74-0
Product Name Alternative
N-myristoyltransferase-1 (NMT-1), DDD100097, DDD-100097, DDD 100097
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Purity
98.89% (May vary between batches)
Solubility
DMSO:7.5 mg/mL (14.33 mM)
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
Storage Conditions
-20°C
Notes
For research use only.

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
T23973-01DDD100097

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