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OXTR modulator-1

CAT: 0013-GTR19274599-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274599-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
OXTR modulator-1 is a regulator of OXTR.
CAS Number
415962-62-8
Smiles
O=C1NC=2C=CC=CC2C1=NNC (=O) CN (C=3C=CC=CC3) S (=O) (=O) C4=CC=C (OCC) C=C4
Molecular Formula
C24H22N4O5S
Molecular Weight
478.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Ethoxy-N-({N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-phenylbenzene-1-sulfonamide
CAS Number415962-62-8
PubChem CID135461089
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
Molecular FormulaC24H22N4O5S
Molecular Weight478.5
XLogP4.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity803
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O5S/c1-2-33-18-12-14-19(15-13-18)34(31,32)28(17-8-4-3-5-9-17)16-22(29)26-27-23-20-10-6-7-11-21(20)25-24(23)30/h3-15,25,30H,2,16H2,1H3
InChIKey
SWSSHGSRPZMMDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethoxy-N-({N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}methyl)-N-phenylbenzene-1-sulfonamide
CAS: 415962-62-8
CID: 135461089
Formula: C24H22N4O5S
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass478.13109099
Monoisotopic Mass478.13109099
Topological Polar Surface Area133 Ų
Heavy Atom Count34
Formal Charge0
Complexity803
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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