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CZ415

CAT: 0931-T3514-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T3514-08Size:100 mg
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CAS Number
1429639-50-8
Target
MTOR
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9844
Bioactivity
CZ415 is a potent and highly selective mTOR inhibitor. This compound has a molecular weight of 432.51 g/mol and demonstrates an inhibition constant (IC50) of 5.8 nM against mTOR. Additionally, CZ415 has shown to be efficacious in preclinical models of cancer, indicating its potential therapeutic application in oncology.
Smiles
CCNC(=O)Nc1ccc(cc1)-c1nc2c(CS(=O)(=O)C2(C)C)c(n1)N1CCOC[C@@H]1C
Molecular Formula
C22H29N5O4S
Molecular Weight
459.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS Number1429639-50-8
PubChem CID71547699
IUPAC Name1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP1.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity778
SMILES
CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CS(=O)(=O)C3(C)C)C(=N2)N4CCOC[C@@H]4C
InChI
InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1
InChIKey
IZLPVLBNRGPOHA-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS: 1429639-50-8
CID: 71547699
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area122 Ų
Heavy Atom Count32
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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