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SID7970631

CAT: 0931-T62757-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62757-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868224-75-3
Target
Others, Orphan Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
SID7970631 is an isoquinolinone analogue, a selective and potent submicromolar SF-1 inhibitor with an IC50 of 260 nM. SID7970631 can be used to study cancer.
Smiles
CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Molecular Formula
C24H24N2O7
Molecular Weight
452.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CAS Number868224-75-3
PubChem CID4289057
IUPAC Nameethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
Molecular FormulaC24H24N2O7
Molecular Weight452.5
XLogP2.8
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity757
SMILES
CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)13-22(27)25-12-16-7-8-20-21(11-16)32-14-31-20/h4-11,15H,3,12-14H2,1-2H3,(H,25,27)
InChIKey
NFBXJAYFPJYHPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
CAS: 868224-75-3
CID: 4289057
Formula: C24H24N2O7
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass452.15835111
Monoisotopic Mass452.15835111
Topological Polar Surface Area103 Ų
Heavy Atom Count33
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5805437SID7970631

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