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Afuresertib

CAT: 0926-BA166066-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-BA166066-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1047644-62-1
Synonyms
GSK 2110183C; N- [ (1S) - 2- Amino- 1- [ (3- fluorophenyl) methyl] ethyl] - 5- chloro- 4- (4- chloro- 1- methyl- 1H- pyrazol- 5- yl) -2 - thiophenecarboxamide
Smiles
CN1C (=C (C=N1) Cl) C2=C (SC (=C2) C (=O) N[C@@H] (CC3=CC (=CC=C3) F) CN) Cl
Molecular Formula
C18H17Cl2FN4OS
Molecular Weight
427.32 g/mol
Controlled
No

Chemical Information

Afuresertib

N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide is a member of amphetamines.

CAS Number1047644-62-1
PubChem CID46843057
IUPAC NameN-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
Molecular FormulaC18H17Cl2FN4OS
Molecular Weight427.3
XLogP4
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity520
SMILES
CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl
InChI
InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
InChIKey
AFJRDFWMXUECEW-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Afuresertib
CAS: 1047644-62-1
CID: 46843057
Formula: C18H17Cl2FN4OS
MW: 427.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.3
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass426.0484159
Monoisotopic Mass426.0484159
Topological Polar Surface Area101 Ų
Heavy Atom Count27
Formal Charge0
Complexity520
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

Alternative Products

CatalogName
B4811-5Afuresertib
T7885-01Afuresertib hydrochloride
MBS384821-01Afuresertib HCl
C12749-01Afuresertib (GSK2110183)
A16392-500Afuresertib 500mg
A16392-10Afuresertib 10mg

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