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BAY885

CAT: 1410-M24050-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M24050-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY885 is a new ERK5 inhibitor.
CAS Number
2307249-33-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
515.53
Molecular Formula
C25H28F3N7O2
Notes
Research use only, not for human use.
Receptor
ERK5

Chemical Information

Bay-885
CAS Number2307249-33-6
PubChem CID134128280
IUPAC Name[2-amino-4-(trifluoromethoxy)phenyl]-[4-[7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
Molecular FormulaC25H28F3N7O2
Molecular Weight515.5
XLogP3.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity774
SMILES
CN1CCN(CC1)C2=CC3=C(C(=NC=N3)C4CCN(CC4)C(=O)C5=C(C=C(C=C5)OC(F)(F)F)N)N=C2
InChI
InChI=1S/C25H28F3N7O2/c1-33-8-10-34(11-9-33)17-12-21-23(30-14-17)22(32-15-31-21)16-4-6-35(7-5-16)24(36)19-3-2-18(13-20(19)29)37-25(26,27)28/h2-3,12-16H,4-11,29H2,1H3
InChIKey
QXURFIGBRGWPQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bay-885
CAS: 2307249-33-6
CID: 134128280
Formula: C25H28F3N7O2
MW: 515.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass515.22565765
Monoisotopic Mass515.22565765
Topological Polar Surface Area101 Ų
Heavy Atom Count37
Formal Charge0
Complexity774
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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CatalogName
HY-112082-01BAY885
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A13765-10BAY885 10mg
A13765-25BAY885 25mg
A13765-100BAY885 100mg
A13765-50BAY885 50mg
A13765-1BAY885 1mg
A13765-10mM-DBAY885 10mM * 1mL in DMSO

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