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BSc5371

CAT: 0931-T10622-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T10622-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2286419-03-0
Target
FLT, Others
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
BSc5371 is a potent and irreversible FLT3 inhibitor (Kds: 1.3, 0.83, 1.5, 5.8, and 2.3 nM for mutant FLT3 D835H, FLT3 ITD/D835V, FLT3 ITD/F691L, FLT3-ITD, and wild type FLT3 wt) .
Smiles
C(=C\1/C=2C(NC1=O)=CC=C(NS(C=C)(=O)=O)C2)\C3=C(C)C(C(NCCN(CC)CC)=O)=C(C)N3
Molecular Formula
C24H31N5O4S
Molecular Weight
485.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS Number2286419-03-0
PubChem CID137628656
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC24H31N5O4S
Molecular Weight485.6
XLogP2
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity896
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)NS(=O)(=O)C=C)NC2=O)C
InChI
InChI=1S/C24H31N5O4S/c1-6-29(7-2)12-11-25-24(31)22-15(4)21(26-16(22)5)14-19-18-13-17(28-34(32,33)8-3)9-10-20(18)27-23(19)30/h8-10,13-14,26,28H,3,6-7,11-12H2,1-2,4-5H3,(H,25,31)(H,27,30)/b19-14-
InChIKey
OXJJSKDUGJXXAV-RGEXLXHISA-N
Chemical Structure
2D Structure
2D structure of N-[2-(diethylamino)ethyl]-5-[(Z)-[5-(ethenylsulfonylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CAS: 2286419-03-0
CID: 137628656
Formula: C24H31N5O4S
MW: 485.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.6
XLogP32
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass485.20967566
Monoisotopic Mass485.20967566
Topological Polar Surface Area132 Ų
Heavy Atom Count34
Formal Charge0
Complexity896
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A19465-25BSc5371 25mg

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