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ZEN-3694

CAT: 1568-C01713-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C01713-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1643947-30-1
SKU
C01713-5mg
Target
Epigenetic Reader Domain
Applications
Epigenetics
Additionnal Information
ZEN-3694 is an orally bioavailable bromodomain extraterminal inhibitor (BETi) that leads to down-regulation of expression of AR-signaling in metastatic castrationresistant prostate cancer (mCRPC) models.

Chemical Information

Bet-IN-19

ZEN-3694 is under investigation in clinical trial NCT04840589 (Testing the Combination of ZEN003694 and Nivolumab With or Without Ipilimumab in Solid Tumors).

CAS Number1643947-30-1
PubChem CID121375819
IUPAC Name1-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylimidazo[4,5-b]pyridin-2-amine
Molecular FormulaC19H19N5O
Molecular Weight333.4
XLogP3.5
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity444
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(N=C2)N=C(N3CC4=CC=CC=C4)NC
InChI
InChI=1S/C19H19N5O/c1-12-17(13(2)25-23-12)15-9-16-18(21-10-15)22-19(20-3)24(16)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,21,22)
InChIKey
VUFGOHIETLJZRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bet-IN-19
CAS: 1643947-30-1
CID: 121375819
Formula: C19H19N5O
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass333.15896025
Monoisotopic Mass333.15896025
Topological Polar Surface Area68.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity444
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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