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IPSU

CAT: 0931-T5503-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T5503-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1373765-19-5
Target
OX Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.981
Bioactivity
IPSU is an antagonist of OX2 receptor. IPSU Exhibits approximately six-fold selectivity for OX2 versus OX1 receptors.
Smiles
COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
Molecular Formula
C23H27N5O2
Molecular Weight
405.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-
CAS Number1373765-19-5
PubChem CID56970858
IUPAC Name2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Molecular FormulaC23H27N5O2
Molecular Weight405.5
XLogP2.8
Topological Polar Surface Area74.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity608
SMILES
COC1=NC(=NC=C1)N2CCC3(CCCN(C3=O)CC4=CNC5=CC=CC=C54)CC2
InChI
InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
InChIKey
PCMHOSYCWRRHTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-
CAS: 1373765-19-5
CID: 56970858
Formula: C23H27N5O2
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass405.21647512
Monoisotopic Mass405.21647512
Topological Polar Surface Area74.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
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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CatalogName
BA5673-10IPSU
A21276-25IPSU 25mg
A21276-5IPSU 5mg
A21276-50IPSU 50mg
A21276-200IPSU 200mg
A21276-100IPSU 100mg
A21276-10IPSU 10mg
A21276-2IPSU 2mg
A21276-10mM-DIPSU 10mM * 1mL in DMSO

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