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GW-678248

CAT: 0804-HY-116732Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116732Size:1 Each
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Description
GW-678248 is an active compound.
CAS Number
329939-64-2
Product Name Alternative
GW-8248
UNSPSC
12352005
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gw-678248.html
Smiles
O=C(COC1=CC=C(C=C1C(C2=CC(C#N)=CC(Cl)=C2)=O)Cl)NC3=CC=C(C=C3C)S(=O)(N)=O
Molecular Formula
C23H17Cl2N3O5S
Molecular Weight
518.37
References & Citations
[1]Design, synthesis and biological evaluation of novel acetamide-substituted doravirine and its prodrugs as potent HIV-1 NNRTIs
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

GW-678248

inhibits wild-type HIV reverse transcriptase; structure in first source

CAS Number329939-64-2
PubChem CID486532
IUPAC Name2-[4-chloro-2-(3-chloro-5-cyanobenzoyl)phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Molecular FormulaC23H17Cl2N3O5S
Molecular Weight518.4
XLogP4
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity902
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)C#N)Cl
InChI
InChI=1S/C23H17Cl2N3O5S/c1-13-6-18(34(27,31)32)3-4-20(13)28-22(29)12-33-21-5-2-16(24)10-19(21)23(30)15-7-14(11-26)8-17(25)9-15/h2-10H,12H2,1H3,(H,28,29)(H2,27,31,32)
InChIKey
BTOMIMSUTLPSHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW-678248
CAS: 329939-64-2
CID: 486532
Formula: C23H17Cl2N3O5S
MW: 518.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass517.0265972
Monoisotopic Mass517.0265972
Topological Polar Surface Area148 Ų
Heavy Atom Count34
Formal Charge0
Complexity902
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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