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AZD4320

CAT: 0926-HEC57648-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-HEC57648-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1357576-48-7
Smiles
CN (CCC (CSC1=CC=CC=C1) NC2=C (C=C (C=C2) S (=O) (=O) NC (=O) C3=CC=C (C=C3) N4CCC (CC4) C (C5=CC=CC=C5C6=CC=C (C=C6) Cl) O) S (=O) (=O) C (F) (F) F) CCO
Molecular Formula
C45H48ClF3N4O7S3
Molecular Weight
945.5 g/mol
Controlled
No

Chemical Information

Azd-4320

dual inhibitor of Bcl-2 and Bcl-x L

CAS Number1357576-48-7
PubChem CID86661883
IUPAC Name4-[4-[(R)-[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-N-[4-[[(2R)-4-[2-hydroxyethyl(methyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
Molecular FormulaC45H48ClF3N4O7S3
Molecular Weight945.5
XLogP9.3
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count63
Formal Charge0
Complexity1630
SMILES
CN(CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)[C@H](C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO
InChI
InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-14-33)53-25-21-32(22-26-53)43(55)40-10-6-5-9-39(40)31-11-15-34(46)16-12-31/h2-20,29,32,35,43,50,54-55H,21-28,30H2,1H3,(H,51,56)/t35-,43-/m1/s1
InChIKey
UNEJSHNDABUZNY-UJNHCCGESA-N
Chemical Structure
2D Structure
2D structure of Azd-4320
CAS: 1357576-48-7
CID: 86661883
Formula: C45H48ClF3N4O7S3
MW: 945.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight945.5
XLogP39.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass944.2325756
Monoisotopic Mass944.2325756
Topological Polar Surface Area198 Ų
Heavy Atom Count63
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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