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Seletalisib

CAT: 0127-BUP04946-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04946-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1362850-20-1
Synonyms
UCB5857
Purity
=95%
Smiles
[O-][n+]1cccc(c1)-c1nc2c(Cl)cccc2cc1[C@@H](Nc1ncnc2cccnc12)C(F)(F)F

Chemical Information

Seletalisib

Seletalisib has been used in trials studying the treatment and basic science of Primary Sjogren's Syndrome.

CAS Number1362850-20-1
PubChem CID56928390
IUPAC NameN-[(1R)-1-[8-chloro-2-(1-oxidopyridin-1-ium-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
Molecular FormulaC23H14ClF3N6O
Molecular Weight482.8
XLogP4
Topological Polar Surface Area89.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity690
SMILES
C1=CC2=CC(=C(N=C2C(=C1)Cl)C3=C[N+](=CC=C3)[O-])[C@H](C(F)(F)F)NC4=NC=NC5=C4N=CC=C5
InChI
InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1
InChIKey
LNLJHGXOFYUARS-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of Seletalisib
CAS: 1362850-20-1
CID: 56928390
Formula: C23H14ClF3N6O
MW: 482.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.8
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass482.0869713
Monoisotopic Mass482.0869713
Topological Polar Surface Area89.1 Ų
Heavy Atom Count34
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8744-50Seletalisib
HY-16754RSeletalisib (Standard)
S8560-2mgSeletalisib (UCB-5857)
A16797-100Seletalisib (UCB-5857) 100mg
A16797-10Seletalisib (UCB-5857) 10mg
A16797-1Seletalisib (UCB-5857) 1mg
A16797-2Seletalisib (UCB-5857) 2mg
A16797-5Seletalisib (UCB-5857) 5mg
A16797-50Seletalisib (UCB-5857) 50mg
A16797-25Seletalisib (UCB-5857) 25mg

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