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BMS-496

CAT: 0931-T82849-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T82849-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2407854-31-1
Target
Others
Related Pathways
Others
Bioactivity
BMS-496 is a dual DGKα/ζ lipid kinase inhibitor exhibiting IC50 values of 0.09 μM (DGKα) and 0.006 μM (DGKζ) [1].
Smiles
O=C1C(=C(C=2N=C(Br)C=CC2N1C)N3CCN(CC3)C(C4=CC=C(F)C=C4)C5=CC=C(F)C=C5)N(=O)=O
Molecular Formula
C26H22BrF2N5O3
Molecular Weight
570.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-6-bromo-1-methyl-3-nitro-1,5-naphthyridin-2(1H)-one
CAS Number2407854-31-1
PubChem CID152199458
IUPAC Name4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-6-bromo-1-methyl-3-nitro-1,5-naphthyridin-2-one
Molecular FormulaC26H22BrF2N5O3
Molecular Weight570.4
XLogP4.6
Topological Polar Surface Area85.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity858
SMILES
CN1C2=C(C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)N=C(C=C2)Br
InChI
InChI=1S/C26H22BrF2N5O3/c1-31-20-10-11-21(27)30-22(20)24(25(26(31)35)34(36)37)33-14-12-32(13-15-33)23(16-2-6-18(28)7-3-16)17-4-8-19(29)9-5-17/h2-11,23H,12-15H2,1H3
InChIKey
VUYLFBZQBMVRRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl]-6-bromo-1-methyl-3-nitro-1,5-naphthyridin-2(1H)-one
CAS: 2407854-31-1
CID: 152199458
Formula: C26H22BrF2N5O3
MW: 570.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass569.08741
Monoisotopic Mass569.08741
Topological Polar Surface Area85.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity858
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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