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R59949

CAT: 0931-T26019-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T26019-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120166-69-0
Target
PKC
Related Pathways
Cytoskeletal Signaling, Chromatin/Epigenetic
Purity
0.9882
Bioactivity
R59949 is used as a Diacylglycerol kinase (DGK) inhibitor.
Smiles
Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1
Molecular Formula
C28H25F2N3OS
Molecular Weight
489.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diacylglycerol Kinase Inhibitor Ii

3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one is a diarylmethane.

CAS Number120166-69-0
PubChem CID657356
IUPAC Name3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Molecular FormulaC28H25F2N3OS
Molecular Weight489.6
XLogP5.6
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity770
SMILES
C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S
InChI
InChI=1S/C28H25F2N3OS/c29-22-9-5-19(6-10-22)26(20-7-11-23(30)12-8-20)21-13-15-32(16-14-21)17-18-33-27(34)24-3-1-2-4-25(24)31-28(33)35/h1-12H,13-18H2,(H,31,35)
InChIKey
ZCNBZFRECRPCKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diacylglycerol Kinase Inhibitor Ii
CAS: 120166-69-0
CID: 657356
Formula: C28H25F2N3OS
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass489.16863993
Monoisotopic Mass489.16863993
Topological Polar Surface Area67.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity770
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

Alternative Products

CatalogName
BUP12319-01R59949

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