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EIF4A3-IN-2

CAT: 0926-VID67720-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-VID67720-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2095677-20-4
MDL Number
MFCD31813601
Smiles
C1CN (C (CN1C (=O) C2=C3C=CC (=CN3N=C2) Br) C4=CC=C (C=C4) Cl) C (=O) C5=CC=C (C=C5) Br
Molecular Formula
C25H19Br2ClN4O2
Molecular Weight
602.7 g/mol
Controlled
No

Chemical Information

eIF4A3-IN-2
CAS Number2095677-20-4
PubChem CID131953885
IUPAC Name(4-bromophenyl)-[(2S)-4-(6-bromopyrazolo[1,5-a]pyridine-3-carbonyl)-2-(4-chlorophenyl)piperazin-1-yl]methanone
Molecular FormulaC25H19Br2ClN4O2
Molecular Weight602.7
XLogP5
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity744
SMILES
C1CN([C@H](CN1C(=O)C2=C3C=CC(=CN3N=C2)Br)C4=CC=C(C=C4)Cl)C(=O)C5=CC=C(C=C5)Br
InChI
InChI=1S/C25H19Br2ClN4O2/c26-18-5-1-17(2-6-18)24(33)31-12-11-30(15-23(31)16-3-8-20(28)9-4-16)25(34)21-13-29-32-14-19(27)7-10-22(21)32/h1-10,13-14,23H,11-12,15H2/t23-/m1/s1
InChIKey
WKKAVTNXNVPCCN-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of eIF4A3-IN-2
CAS: 2095677-20-4
CID: 131953885
Formula: C25H19Br2ClN4O2
MW: 602.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight602.7
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass601.95428
Monoisotopic Mass599.95633
Topological Polar Surface Area57.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity744
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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