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ALW-II-41-27

CAT: 0607-A3165-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3165-50Size:50 mg
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Description
Eph receptor inhibitor
CAS Number
1186206-79-0
Product Name Alternative
N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)nicotinamide
Sequence
Eph receptor tyrosine kinase inhibitor;
Field of Research
Tyrosine Kinase EphB4
Purity
0.9745
Solubility
≥60.8 mg/mL in EtOH; insoluble in H2O; ≥102 mg/mL in DMSO
Smiles
CCN1CCN(CC2=C(C(F)(F)F)C=C(NC(C3=CC(NC(C4=CN=CC(C5=CC=CS5)=C4)=O)=C(C=C3)C)=O)C=C2)CC1
Molecular Formula
C32H32F3N5O2S
Molecular Weight
607.69
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)pyridine-3-carboxamide (6)
CAS Number1186206-79-0
PubChem CID42628503
IUPAC NameN-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]-5-thiophen-2-ylpyridine-3-carboxamide
Molecular FormulaC32H32F3N5O2S
Molecular Weight607.7
XLogP5.1
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity933
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CN=CC(=C4)C5=CC=CS5)C(F)(F)F
InChI
InChI=1S/C32H32F3N5O2S/c1-3-39-10-12-40(13-11-39)20-23-8-9-26(17-27(23)32(33,34)35)37-30(41)22-7-6-21(2)28(16-22)38-31(42)25-15-24(18-36-19-25)29-5-4-14-43-29/h4-9,14-19H,3,10-13,20H2,1-2H3,(H,37,41)(H,38,42)
InChIKey
HYWXBDQAYLPMIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-((4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)carbamoyl)-2-methylphenyl)-5-(thiophen-2-yl)pyridine-3-carboxamide (6)
CAS: 1186206-79-0
CID: 42628503
Formula: C32H32F3N5O2S
MW: 607.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight607.7
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass607.22288094
Monoisotopic Mass607.22288094
Topological Polar Surface Area106 Ų
Heavy Atom Count43
Formal Charge0
Complexity933
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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Alternative Products

CatalogName
T4344-01ALW-II-41-27
C11965-01ALW II-41-27
A12493-50ALW-II-41-27 50mg
A12493-25ALW-II-41-27 25mg
A12493-10ALW-II-41-27 10mg
A12493-5ALW-II-41-27 5mg
A12493-100ALW-II-41-27 100mg
A12493-2ALW-II-41-27 2mg

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