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BAY-678

CAT: 1410-M32798-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32798-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-678 is a human neutrophil elastase (HNE; IC50: 20 nM) inhibitor with oral bioactivity, potency and selectivity.BAY-678 is a chemical probe recommended by the Structural Genomics Consortium (SGC) .
CAS Number
675103-36-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
400.35
Molecular Formula
C20H15F3N4O2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Bay-678
CAS Number675103-36-3
PubChem CID23728722
IUPAC Name5-[(6R)-5-acetyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile
Molecular FormulaC20H15F3N4O2
Molecular Weight400.4
XLogP2.5
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity755
SMILES
CC1=C([C@H](NC(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN=C(C=C3)C#N)C(=O)C
InChI
InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1
InChIKey
PGIVGIFOWOVINL-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Bay-678
CAS: 675103-36-3
CID: 23728722
Formula: C20H15F3N4O2
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass400.11471022
Monoisotopic Mass400.11471022
Topological Polar Surface Area86.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity755
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

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Alternative Products

CatalogName
574578BAY-678
442153-01BAY 678
A16866-100BAY-678 100mg
A16866-50BAY-678 50mg
A16866-200BAY-678 200mg
A16866-25BAY-678 25mg
A16866-5BAY-678 5mg
T19202-01BAY-678 racemate
HY-111515-01BAY-678 (racemate)
A16866-10BAY-678 10mg

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