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INCB054329 Racemate

CAT: 0931-T11649-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11649-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628607-62-4
Target
Others, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
INCB054329 Racemate is an inhibitor of BET protein.
Smiles
O=C1N2C3=C(C(=CC=C3N1)C=4C(C)=NOC4C)OCC2C5=CC=CC=N5
Molecular Formula
C19H16N4O3
Molecular Weight
348.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

INCB054329 Racemate
CAS Number1628607-62-4
PubChem CID86298851
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
Molecular FormulaC19H16N4O3
Molecular Weight348.4
XLogP1.9
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity561
SMILES
CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5
InChI
InChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-14-17-18(12)25-9-15(23(17)19(24)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,24)
InChIKey
XYLPKCDRAAYATL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of INCB054329 Racemate
CAS: 1628607-62-4
CID: 86298851
Formula: C19H16N4O3
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass348.12224039
Monoisotopic Mass348.12224039
Topological Polar Surface Area80.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3846036-01INCB054329 Racemate
HY-112504AINCB054329 (Racemate)
A21609-25INCB054329 Racemate 25mg
A21609-50INCB054329 Racemate 50mg
A21609-10INCB054329 Racemate 10mg
A21609-5INCB054329 Racemate 5mg
A21609-100INCB054329 Racemate 100mg
A21609-1INCB054329 Racemate 1mg
GTR19201846-01INCB054329

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