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BMS-303141

CAT: 0931-T2337-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T2337-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
943962-47-8
Target
ATP Citrate Lyase
Related Pathways
Metabolism
Purity
0.9985
Bioactivity
BMS-303141 is a potent ATP-citrate lyase (ACL) inhibitor (IC50: 0.13 uM, human recombinant ACL) .
Smiles
COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O)-c1ccccc1
Molecular Formula
C19H15Cl2NO4S
Molecular Weight
424.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is a member of biphenyls.

CAS Number943962-47-8
PubChem CID16747776
IUPAC Name3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
Molecular FormulaC19H15Cl2NO4S
Molecular Weight424.3
XLogP5.5
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity579
SMILES
COC1=C(C=C(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C19H15Cl2NO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKey
SIIPNDKXZOTLEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide
CAS: 943962-47-8
CID: 16747776
Formula: C19H15Cl2NO4S
MW: 424.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.3
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.0098845
Monoisotopic Mass423.0098845
Topological Polar Surface Area84 Ų
Heavy Atom Count27
Formal Charge0
Complexity579
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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