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BIBF0775

CAT: 0931-T5197-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5197-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
334951-90-5
Target
ALK, TGF-beta/Smad
Related Pathways
Stem Cells, Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9979
Bioactivity
BIBF0775 is a selective TGFβ type I receptor (Alk5) inhibitor (IC50: 34 nM) .
Smiles
CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1
Molecular Formula
C31H34N4O2
Molecular Weight
494.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(Z)-N-Ethyl-N-methyl-2-oxo-3-(phenyl((4-(piperidin-1-ylmethyl)phenyl)amino)methylene)indoline-6-carboxamide
CAS Number334951-90-5
PubChem CID135837779
IUPAC NameN-ethyl-2-hydroxy-N-methyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
Molecular FormulaC31H34N4O2
Molecular Weight494.6
XLogP5.7
Topological Polar Surface Area71.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity767
SMILES
CCN(C)C(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,33,36H,3,5,8-9,18-19,21H2,1-2H3
InChIKey
JGQSLTZPBLZNBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Z)-N-Ethyl-N-methyl-2-oxo-3-(phenyl((4-(piperidin-1-ylmethyl)phenyl)amino)methylene)indoline-6-carboxamide
CAS: 334951-90-5
CID: 135837779
Formula: C31H34N4O2
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass494.26817634
Monoisotopic Mass494.26817634
Topological Polar Surface Area71.9 Ų
Heavy Atom Count37
Formal Charge0
Complexity767
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
BA9164-50BIBF0775
A17230-200BIBF0775 200mg
A17230-100BIBF0775 100mg
A17230-25BIBF0775 25mg
A17230-1BIBF0775 1mg
A17230-5BIBF0775 5mg
A17230-50BIBF0775 50mg
A17230-10BIBF0775 10mg
A17230-10mM-DBIBF0775 10mM * 1mL in DMSO

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