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GDC-0339

CAT: 0013-GTR19203315-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203315-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GDC-0339
CAS Number
1428569-85-0
Field of Research
Epigenetics & Chromatin, Signal Transduction
Smiles
Cn1ncc (NC (=O) c2nc (sc2N) -c2c (F) cccc2F) c1N1CC[C@@H] (N) [C@H] (F) CC1
Molecular Formula
C20H22F3N7OS
Molecular Weight
465.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gdc-0339
CAS Number1428569-85-0
PubChem CID73603034
IUPAC Name5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Molecular FormulaC20H22F3N7OS
Molecular Weight465.5
XLogP3
Topological Polar Surface Area143
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity657
SMILES
CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CC[C@H]([C@@H](CC4)F)N
InChI
InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
InChIKey
NHXVGMQFCYBLTL-ZWNOBZJWSA-N
Chemical Structure
2D Structure
2D structure of Gdc-0339
CAS: 1428569-85-0
CID: 73603034
Formula: C20H22F3N7OS
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass465.15586401
Monoisotopic Mass465.15586401
Topological Polar Surface Area143 Ų
Heavy Atom Count32
Formal Charge0
Complexity657
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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