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AP-503

CAT: 0957-E6776-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E6776-04Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GPR133/ADGRD1
CAS Number
767299-99-0
Molecular Formula
C24H31N3O4 243134

Chemical Information

Methyl 3-{[(2,4-dimethylphenoxy)acetyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate
CAS Number767299-99-0
PubChem CID7346086
IUPAC Namemethyl 3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate
Molecular FormulaC24H31N3O4
Molecular Weight425.5
XLogP3.7
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=C(C=C(C=C3)C)C
InChI
InChI=1S/C24H31N3O4/c1-5-26-10-12-27(13-11-26)21-8-7-19(24(29)30-4)15-20(21)25-23(28)16-31-22-9-6-17(2)14-18(22)3/h6-9,14-15H,5,10-13,16H2,1-4H3,(H,25,28)
InChIKey
CPGGKKARFZXWMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-{[(2,4-dimethylphenoxy)acetyl]amino}-4-(4-ethylpiperazin-1-yl)benzoate
CAS: 767299-99-0
CID: 7346086
Formula: C24H31N3O4
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass425.23145648
Monoisotopic Mass425.23145648
Topological Polar Surface Area71.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
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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C21558-25mgAP-503
MBS131623-01Amcasertib ?BBI503? BBI-503? BBI 503?
MBS6366778-01ZNF503, NT (ZNF503, Zinc finger protein 503) (AP)
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