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(S) -SKBG-1

CAT: 0804-HY-153918A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153918A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -SKBG-1 is an inactive and covalent NONO ligand, used for assay control..
CAS Number
2955618-24-1
UNSPSC
12352005
Target
Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/s-skbg-1.html
Purity
99.01
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S(N1[C@@H](CN(CC1)C(CCl)=O)C(NCC2=CC=C(C=C2)OC)=O)(C3=CC=C(C=C3)OC)=O
Molecular Formula
C22H26ClN3O6S
Molecular Weight
495.98
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-Skbg-1
CAS Number2955618-24-1
PubChem CID166637068
IUPAC Name(2S)-4-(2-chloroacetyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide
Molecular FormulaC22H26ClN3O6S
Molecular Weight496.0
XLogP1.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity761
SMILES
COC1=CC=C(C=C1)CNC(=O)[C@@H]2CN(CCN2S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)CCl
InChI
InChI=1S/C22H26ClN3O6S/c1-31-17-5-3-16(4-6-17)14-24-22(28)20-15-25(21(27)13-23)11-12-26(20)33(29,30)19-9-7-18(32-2)8-10-19/h3-10,20H,11-15H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKey
SXQZEMXQTRNLRZ-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (S)-Skbg-1
CAS: 2955618-24-1
CID: 166637068
Formula: C22H26ClN3O6S
MW: 496.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.0
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass495.1230844
Monoisotopic Mass495.1230844
Topological Polar Surface Area114 Ų
Heavy Atom Count33
Formal Charge0
Complexity761
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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