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AZD3759

CAT: 0498-bs-6469C-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-6469C-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1626387-80-1
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
Soluble in DMSO, not in water
Smiles
CN1CCN([C@H](C)C1)C(=O)OC1C=C2C(NC3C=CC=C(Cl)C=3F)=NC=NC2=CC=1OC
Molecular Formula
C22 H23 Cl F N5 O3
Molecular Weight
459.9
InChI
InChI=1S/C22H23ClFN5O3/c1-13-11-28 (2) 7-8-29 (13) 22 (30) 32-19-9-14-17 (10-18 (19) 31-3) 25-12-26-21 (14) 27-16-6-4-5-15 (23) 20 (16) 24/h4-6,9-10,12-13H,7-8,11H2,1-3H3, (H,25,26,27) /t13-/m1/s1
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power

Chemical Information

Zorifertinib

AZD-3759 is under investigation in clinical trial NCT03360929 (Evaluate Safety, Tolerability, Pharmacokinetics and Anti-tumor Activity of AZD3759).

CAS Number1626387-80-1
PubChem CID78209992
IUPAC Name[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl] (2R)-2,4-dimethylpiperazine-1-carboxylate
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.9
XLogP4.1
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity649
SMILES
C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C
InChI
InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1
InChIKey
MXDSJQHFFDGFDK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Zorifertinib
CAS: 1626387-80-1
CID: 78209992
Formula: C22H23ClFN5O3
MW: 459.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight459.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass459.1473455
Monoisotopic Mass459.1473455
Topological Polar Surface Area79.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity649
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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