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PI-540

CAT: 0931-T68443-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68443-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
885616-78-4
Target
Others, mTOR, PI3K
Related Pathways
PI3K/Akt/mTOR signaling, Others
Bioactivity
PI-540 is a potent and selective inhibitor of class 1A phosphatidylinositide 3-kinases (PI3K) .
Smiles
C(C=1SC2=C(N=C(N=C2C1)C3=CC(O)=CC=C3)N4CCOCC4)N5CCN(C)CC5
Molecular Formula
C22H27N5O2S
Molecular Weight
425.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CAS Number885616-78-4
PubChem CID11669062
IUPAC Name3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
Molecular FormulaC22H27N5O2S
Molecular Weight425.5
XLogP2.4
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity558
SMILES
CN1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC(=CC=C4)O)N5CCOCC5
InChI
InChI=1S/C22H27N5O2S/c1-25-5-7-26(8-6-25)15-18-14-19-20(30-18)22(27-9-11-29-12-10-27)24-21(23-19)16-3-2-4-17(28)13-16/h2-4,13-14,28H,5-12,15H2,1H3
InChIKey
OKWPNODGKOTLAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[6-[(4-Methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CAS: 885616-78-4
CID: 11669062
Formula: C22H27N5O2S
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass425.18854629
Monoisotopic Mass425.18854629
Topological Polar Surface Area93.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity558
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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