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CCW16

CAT: 0931-T61642-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61642-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2361138-33-0
Target
ROS, Ligand for E3 Ligase, Ferroptosis
Related Pathways
Apoptosis, PROTAC, Immunology/Inflammation
Purity
0.97
Bioactivity
CCW16 is a covalent E3 ubiquitin ligase RNF4 ligand exhibiting cysteine reactivity, capable of inducing ferroptosis in AML cells by activating ROS signalling. CCW16 may be utilised in synthesising PROTAC degraders such as CCW 28-3.
Smiles
O=C(N(C1=CC=C(OC2=CC=C(OC)C=C2)C=C1)CC=3C=CC=CC3)CCl
Molecular Formula
C22H20ClNO3
Molecular Weight
381.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Benzyl-2-chloro-N-(4-(4-methoxyphenoxy)phenyl)acetamide
CAS Number2361138-33-0
PubChem CID150069746
IUPAC NameN-benzyl-2-chloro-N-[4-(4-methoxyphenoxy)phenyl]acetamide
Molecular FormulaC22H20ClNO3
Molecular Weight381.8
XLogP4.9
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity439
SMILES
COC1=CC=C(C=C1)OC2=CC=C(C=C2)N(CC3=CC=CC=C3)C(=O)CCl
InChI
InChI=1S/C22H20ClNO3/c1-26-19-11-13-21(14-12-19)27-20-9-7-18(8-10-20)24(22(25)15-23)16-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKey
DPADEQNOMBTITM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzyl-2-chloro-N-(4-(4-methoxyphenoxy)phenyl)acetamide
CAS: 2361138-33-0
CID: 150069746
Formula: C22H20ClNO3
MW: 381.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.8
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass381.1131712
Monoisotopic Mass381.1131712
Topological Polar Surface Area38.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity439
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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