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RX-37

CAT: 1410-M12417-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M12417-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent and specific BET bromodomain inhibitor with Ki of 3.2-24.7 nM.
CAS Number
1627715-60-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.481
Molecular Formula
C24H23N5O2
Notes
Research use only, not for human use.
Receptor
Bromodomain

Chemical Information

1-(3-Cyclopropyl-5-Methyl-1h-Pyrazol-4-Yl)-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-5h-Pyrido[4,3-B]indole
CAS Number1627715-60-9
PubChem CID77846025
IUPAC Name4-[1-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
Molecular FormulaC24H23N5O2
Molecular Weight413.5
XLogP4.1
Topological Polar Surface Area92.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity662
SMILES
CC1=C(C(=NN1)C2CC2)C3=NC=CC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC
InChI
InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
InChIKey
WHDUHJYPRJXLGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-Cyclopropyl-5-Methyl-1h-Pyrazol-4-Yl)-7-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-8-Methoxy-5h-Pyrido[4,3-B]indole
CAS: 1627715-60-9
CID: 77846025
Formula: C24H23N5O2
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass413.18517499
Monoisotopic Mass413.18517499
Topological Polar Surface Area92.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity662
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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