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SAR 405

CAT: 0926-YKC40639-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-YKC40639-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1523406-39-4
MDL Number
MFCD28411361
Smiles
C[C@@H]1COCCN1C2=CC (=O) N3CC[C@H] (N (C3=N2) CC4=CC (=CN=C4) Cl) C (F) (F) F
Molecular Formula
C19H21ClF3N5O2
Molecular Weight
443.85 g/mol
Controlled
No

Chemical Information

Sar405

a Vps34 inhibitor with antineoplastic activity; structure in first source

CAS Number1523406-39-4
PubChem CID72709209
IUPAC Name(8S)-9-[(5-chloro-3-pyridinyl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
Molecular FormulaC19H21ClF3N5O2
Molecular Weight443.8
XLogP2.2
Topological Polar Surface Area61.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity731
SMILES
C[C@@H]1COCCN1C2=CC(=O)N3CC[C@H](N(C3=N2)CC4=CC(=CN=C4)Cl)C(F)(F)F
InChI
InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
InChIKey
SPDQRCUBFSRAFI-DOMZBBRYSA-N
Chemical Structure
2D Structure
2D structure of Sar405
CAS: 1523406-39-4
CID: 72709209
Formula: C19H21ClF3N5O2
MW: 443.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.8
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass443.1335871
Monoisotopic Mass443.1335871
Topological Polar Surface Area61.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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