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AZD0095

CAT: 0931-T64378-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T64378-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2750001-23-9
Target
Monocarboxylate transporter
Related Pathways
Membrane transporter/Ion channel
Purity
0.9851
Bioactivity
AZD0095 is a selective inhibitor of MCT4 with an IC50 of 1.3 nM.
Smiles
Cc1nc2nc(C)c(O[C@@H]3CCN(C3)c3ccc(cc3)-c3ccc(CN4CCOCC4)nn3)c(C)n2n1
Molecular Formula
C27H32N8O2
Molecular Weight
500.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(6-{4-[(3R)-3-({2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}oxy)pyrrolidin-1-yl]phenyl}pyridazin-3-yl)methyl]morpholine
CAS Number2750001-23-9
PubChem CID146241312
IUPAC Name4-[[6-[4-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]phenyl]pyridazin-3-yl]methyl]morpholine
Molecular FormulaC27H32N8O2
Molecular Weight500.6
XLogP2.4
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity733
SMILES
CC1=C(C(=NC2=NC(=NN12)C)C)O[C@@H]3CCN(C3)C4=CC=C(C=C4)C5=NN=C(C=C5)CN6CCOCC6
InChI
InChI=1S/C27H32N8O2/c1-18-26(19(2)35-27(28-18)29-20(3)32-35)37-24-10-11-34(17-24)23-7-4-21(5-8-23)25-9-6-22(30-31-25)16-33-12-14-36-15-13-33/h4-9,24H,10-17H2,1-3H3/t24-/m1/s1
InChIKey
PHDAGSZQGNWGFE-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of 4-[(6-{4-[(3R)-3-({2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}oxy)pyrrolidin-1-yl]phenyl}pyridazin-3-yl)methyl]morpholine
CAS: 2750001-23-9
CID: 146241312
Formula: C27H32N8O2
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass500.26482229
Monoisotopic Mass500.26482229
Topological Polar Surface Area93.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity733
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

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