Products for Research Use Only
RegisterLogin

H-NTPDase-IN-4

CAT: 0931-T77661-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T77661-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2939933-09-0
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9997
Bioactivity
H-NTPDase-IN-4 is a pan-inhibitor of NTPDase, which can inhibit h-NTPDase1, 1h-NTPDase2, h-NTPDase3, h-NTPDase8. The IC50 values were 3.58 μM, 10.21 μM, 0.13 μM and 13.57 μM, respectively.
Smiles
C(F)(F)(F)C=1C=C(C2=C3C(C(=CS3)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=NC=N2)C=C(C(F)(F)F)C1
Molecular Formula
C22H8F12N2S
Molecular Weight
560.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

h-NTPDase-IN-4
CAS Number2939933-09-0
PubChem CID168510598
IUPAC Name4,7-bis[3,5-bis(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine
Molecular FormulaC22H8F12N2S
Molecular Weight560.4
XLogP8.1
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count2
Heavy Atom Count37
Formal Charge0
Complexity750
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=CSC3=C2N=CN=C3C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H8F12N2S/c23-19(24,25)11-1-9(2-12(5-11)20(26,27)28)15-7-37-18-16(35-8-36-17(15)18)10-3-13(21(29,30)31)6-14(4-10)22(32,33)34/h1-8H
InChIKey
TYDAPAGFPMDHHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of h-NTPDase-IN-4
CAS: 2939933-09-0
CID: 168510598
Formula: C22H8F12N2S
MW: 560.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight560.4
XLogP38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count2
Exact Mass560.0216574
Monoisotopic Mass560.0216574
Topological Polar Surface Area54 Ų
Heavy Atom Count37
Formal Charge0
Complexity750
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

Related Products

CatalogName
T79622-01H-NTPDase-IN-3
T79491-01H-NTPDase-IN-1
T79607-01H-NTPDase-IN-2
T79623-01H-NTPDase-IN-5
T62633-01NTPDase-IN-3
T61377-01NTPDase-IN-1
T62703-01NTPDase-IN-2
T79492-01H-NTPDase8-IN-1
T66400H-Phe (4-Ac) -OH
T37032H-4-Nitro-Phe-OEt . HCl

Alternative Products

CatalogName
BA6132-25h-NTPDase-IN-4
M37245-01H-NTPDase-IN-3
M37244-01H-NTPDase-IN-2
MBS5821153h-NTPDase-IN-1
GTR19218989-01H-NTPDase-IN-5
MBS5805313NTPDase-IN-3
MBS5804081NTPDase-IN-1
MBS5805383NTPDase-IN-2

Popular Products