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SDZ 21009

CAT: 0931-T23343-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23343-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39731-05-0
Target
Others, 5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
β-adrenoceptor and 5-HT1A/1B receptor antagonist
Smiles
O(CC(CNC(C)(C)C)O)C1=C2C(NC(C(OC(C)C)=O)=C2)=CC=C1
Molecular Formula
C19H28N2O4
Molecular Weight
348.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Methylethyl 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-indole-2-carboxylate

4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylic acid propan-2-yl ester is an isopropyl ester and an indolyl carboxylate ester.

CAS Number39731-05-0
PubChem CID193949
IUPAC Namepropan-2-yl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate
Molecular FormulaC19H28N2O4
Molecular Weight348.4
XLogP2.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity436
SMILES
CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
InChIKey
SJYFDORQYYEJLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methylethyl 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1H-indole-2-carboxylate
CAS: 39731-05-0
CID: 193949
Formula: C19H28N2O4
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass348.20490738
Monoisotopic Mass348.20490738
Topological Polar Surface Area83.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity436
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

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