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AZD-9684

CAT: 0013-GTR19198162-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198162-02Size:100 mg
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Description
AZD-9684
CAS Number
775274-06-1
Field of Research
Protein Biochemistry
Smiles
C ([C@H] ([C@@H] (C) S) C (O) =O) C=1C=CC (N) =NC1
Molecular Formula
C10H14N2O2S
Molecular Weight
226.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azd-9684

AZD-9684 is the first member of a new anti-thrombotic class (CPU inhibitors). It is being developed by AstraZeneca.

CAS Number775274-06-1
PubChem CID87609775
IUPAC Name(2S,3R)-2-[(6-amino-3-pyridinyl)methyl]-3-sulfanylbutanoic acid
Molecular FormulaC10H14N2O2S
Molecular Weight226.30
XLogP1
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity225
SMILES
C[C@H]([C@@H](CC1=CN=C(C=C1)N)C(=O)O)S
InChI
InChI=1S/C10H14N2O2S/c1-6(15)8(10(13)14)4-7-2-3-9(11)12-5-7/h2-3,5-6,8,15H,4H2,1H3,(H2,11,12)(H,13,14)/t6-,8-/m1/s1
InChIKey
GYIYAOUGKJSCCG-HTRCEHHLSA-N
Chemical Structure
2D Structure
2D structure of Azd-9684
CAS: 775274-06-1
CID: 87609775
Formula: C10H14N2O2S
MW: 226.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.30
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass226.07759887
Monoisotopic Mass226.07759887
Topological Polar Surface Area77.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity225
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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