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Ipatasertib; Gdc-0068

CAT: 1299-RM-I250000-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I250000-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1001264-89-6
Synonyms
(S) -2- (4-chlorophenyl) -1- (4- ((5R,7R) -7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl) piperazin-1-yl) -3- (isopropylamino) propan-1-one
Molecular Formula
C24H32ClN5O2
Molecular Weight
458
Target Alternative Name
Ipatasertib
Product Name Synonym
(S) -2- (4-chlorophenyl) -1- (4- ((5R,7R) -7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl) piperazin-1-yl) -3- (isopropylamino) propan-1-one

Chemical Information

Ipatasertib

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone is a N-arylpiperazine.

CAS Number1001264-89-6
PubChem CID24788740
IUPAC Name(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
Molecular FormulaC24H32ClN5O2
Molecular Weight458.0
XLogP2.5
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity622
SMILES
C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1
InChIKey
GRZXWCHAXNAUHY-NSISKUIASA-N
Chemical Structure
2D Structure
2D structure of Ipatasertib
CAS: 1001264-89-6
CID: 24788740
Formula: C24H32ClN5O2
MW: 458.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.0
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass457.2244530
Monoisotopic Mass457.2244530
Topological Polar Surface Area81.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity622
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
S2808-10mgIpatasertib (GDC-0068)
MBS384005-01GDC-0068 (Ipatasertib, RG-7440)
A11246-100GDC-0068 (Ipatasertib, RG-7440) 100mg
A11246-2GDC-0068 (Ipatasertib, RG-7440) 2mg
A11246-1000GDC-0068 (Ipatasertib, RG-7440) 1g
A11246-500GDC-0068 (Ipatasertib, RG-7440) 500mg
A11246-200GDC-0068 (Ipatasertib, RG-7440) 200mg
A11246-50GDC-0068 (Ipatasertib, RG-7440) 50mg
2667-5GDC-0068
MBS132289-01GDC 0068

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