AZD8309

CAT: 0127-BUP08003-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP08003-02Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

333742-48-6

Synonyms

AZD 8309, AZD-8309

Purity

=98%

Smiles

N([C@@H](CO)C)C1=C2C(=NC(SCC3=C(F)C(F)=CC=C3)=N1)NC(=O)S2

Chemical Information

Azd-8309

CXCR2 inhibitor

CAS Number	333742-48-6
PubChem CID	12073810
IUPAC Name	5-[(2,3-difluorophenyl)methylsulfanyl]-7-[[(2R)-1-hydroxypropan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular Formula	C15H14F2N4O2S2
Molecular Weight	384.4
XLogP	2.9
Topological Polar Surface Area	138
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	479

SMILES

C[C@H](CO)NC1=NC(=NC2=C1SC(=O)N2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C15H14F2N4O2S2/c1-7(5-22)18-12-11-13(21-15(23)25-11)20-14(19-12)24-6-8-3-2-4-9(16)10(8)17/h2-4,7,22H,5-6H2,1H3,(H2,18,19,20,21,23)/t7-/m1/s1

InChIKey

SRHSMXLXWORYJK-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 333742-48-6

CID: 12073810

Formula: C15H14F2N4O2S2

MW: 384.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	384.4
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	384.05262437
Monoisotopic Mass	384.05262437
Topological Polar Surface Area	138 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	479
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA5304-1	AZD8309