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GDC-0834

CAT: 0013-GTR19205803-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205803-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GDC-0834 is a potent and selective Bruton's tyrosine kinase (BTK) inhibitor, demonstrating low nanomolar IC50 values in biochemical and cellular assays. It exhibits in vivo activity in rodent models, supporting its use as a research tool for investigating BTK-related pathways in immunology and oncology research.
CAS Number
1133432-49-1
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
CN1CCN (C) C (=O) [C@H]1c1ccc (Nc2nc (cn (C) c2=O) -c2cccc (NC (=O) c3cc4CCCCc4s3) c2C) cc1
Molecular Formula
C33H36N6O3S
Molecular Weight
596.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gdc 0834
CAS Number1133432-49-1
PubChem CID25234918
IUPAC NameN-[3-[6-[4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Molecular FormulaC33H36N6O3S
Molecular Weight596.7
XLogP4.3
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1140
SMILES
CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=CN(C(=O)C(=N4)NC5=CC=C(C=C5)[C@@H]6C(=O)N(CCN6C)C)C
InChI
InChI=1S/C33H36N6O3S/c1-20-24(9-7-10-25(20)36-31(40)28-18-22-8-5-6-11-27(22)43-28)26-19-39(4)33(42)30(35-26)34-23-14-12-21(13-15-23)29-32(41)38(3)17-16-37(29)2/h7,9-10,12-15,18-19,29H,5-6,8,11,16-17H2,1-4H3,(H,34,35)(H,36,40)/t29-/m1/s1
InChIKey
CDOOFZZILLRUQH-GDLZYMKVSA-N
Chemical Structure
2D Structure
2D structure of Gdc 0834
CAS: 1133432-49-1
CID: 25234918
Formula: C33H36N6O3S
MW: 596.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.7
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass596.25696021
Monoisotopic Mass596.25696021
Topological Polar Surface Area126 Ų
Heavy Atom Count43
Formal Charge0
Complexity1140
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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