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H-NTPDase-IN-3

CAT: 0931-T79622-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T79622-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2939933-10-3
Target
Immunology/Inflammation related, Phosphatase
Related Pathways
Immunology/Inflammation, Metabolism
Purity
0.9824
Bioactivity
H-NTPDase-IN-3 is an h-NTPDase inhibitor that inhibits h-NTPDase1, h-NTPDase2, h-NTPDase3 and h-NTPDase8.
Smiles
N1=CC=CC(=C1)C2=NC=NC3=C2SC=C3C=4C=NC=CC4
Molecular Formula
C16H10N4S
Molecular Weight
290.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

h-NTPDase-IN-3
CAS Number2939933-10-3
PubChem CID168510597
IUPAC Name4,7-dipyridin-3-ylthieno[3,2-d]pyrimidine
Molecular FormulaC16H10N4S
Molecular Weight290.3
XLogP2.5
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
C1=CC(=CN=C1)C2=CSC3=C2N=CN=C3C4=CN=CC=C4
InChI
InChI=1S/C16H10N4S/c1-3-11(7-17-5-1)13-9-21-16-14(19-10-20-15(13)16)12-4-2-6-18-8-12/h1-10H
InChIKey
ZUSVATVCNQIYMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of h-NTPDase-IN-3
CAS: 2939933-10-3
CID: 168510597
Formula: C16H10N4S
MW: 290.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.3
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass290.06261751
Monoisotopic Mass290.06261751
Topological Polar Surface Area79.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
M37245-01H-NTPDase-IN-3
BA6132-25h-NTPDase-IN-4
M37244-01H-NTPDase-IN-2
MBS5821153h-NTPDase-IN-1
GTR19218989-01H-NTPDase-IN-5
MBS5805313NTPDase-IN-3
MBS5804081NTPDase-IN-1

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