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S101

CAT: 0931-T69358-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69358-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
362508-67-6
Target
Others
Related Pathways
Others
Bioactivity
S101 is an inhibitor of proliferating T-cells, rescuing mice from superantigen-induced shock.
Smiles
N(C=1C2=C(N=C(N1)C3=CC(OC)=C(OC)C(OC)=C3)C=CC=C2)C4=CC=C(C)C=C4
Molecular Formula
C24H23N3O3
Molecular Weight
401.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

p-Tolyl-[2-(3,4,5-trimethoxy-phenyl)-quinazolin-4-yl]-amine
CAS Number362508-67-6
PubChem CID15998641
IUPAC NameN-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
Molecular FormulaC24H23N3O3
Molecular Weight401.5
XLogP5.4
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity514
SMILES
CC1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H23N3O3/c1-15-9-11-17(12-10-15)25-24-18-7-5-6-8-19(18)26-23(27-24)16-13-20(28-2)22(30-4)21(14-16)29-3/h5-14H,1-4H3,(H,25,26,27)
InChIKey
SMRHGURAMRNJTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Tolyl-[2-(3,4,5-trimethoxy-phenyl)-quinazolin-4-yl]-amine
CAS: 362508-67-6
CID: 15998641
Formula: C24H23N3O3
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass401.17394160
Monoisotopic Mass401.17394160
Topological Polar Surface Area65.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity514
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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