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D-87503

CAT: 0931-T68677-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68677-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
800394-83-6
Target
Others, PI3K, ERK, mTOR
Related Pathways
MAPK, Others, PI3K/Akt/mTOR signaling
Bioactivity
D-87503 is a dual extracellular signaling-related kinase (ERK) /PI3K inhibitor.
Smiles
N(C(NCC=C)=S)C1=NC2=C(N=CC(=N2)C3=CC=C(O)C=C3)C=C1
Molecular Formula
C17H15N5OS
Molecular Weight
337.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Thiourea, N-(3-(4-hydroxyphenyl)pyrido(2,3-b)pyrazin-6-yl)-N'-2-propenyl-
CAS Number800394-83-6
PubChem CID135418481
IUPAC Name1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea
Molecular FormulaC17H15N5OS
Molecular Weight337.4
XLogP2.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
C=CCNC(=S)NC1=NC2=NC(=CN=C2C=C1)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H15N5OS/c1-2-9-18-17(24)22-15-8-7-13-16(21-15)20-14(10-19-13)11-3-5-12(23)6-4-11/h2-8,10,23H,1,9H2,(H2,18,20,21,22,24)
InChIKey
YKMUCILEPVJXKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiourea, N-(3-(4-hydroxyphenyl)pyrido(2,3-b)pyrazin-6-yl)-N'-2-propenyl-
CAS: 800394-83-6
CID: 135418481
Formula: C17H15N5OS
MW: 337.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass337.09973129
Monoisotopic Mass337.09973129
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
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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