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GSK 525768A

CAT: 0931-T11472-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T11472-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1260530-25-3
Target
Others, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
GSK 525768A, the inactive enantiomer of GSK525762A, exhibits no activity towards BET.
Smiles
CCNC(=O)C[C@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12
Molecular Formula
C22H22ClN5O2
Molecular Weight
423.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
CAS Number1260530-25-3
PubChem CID52934127
IUPAC Name2-[(4R)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
Molecular FormulaC22H22ClN5O2
Molecular Weight423.9
XLogP2.9
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity639
SMILES
CCNC(=O)C[C@@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m1/s1
InChIKey
AAAQFGUYHFJNHI-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4R)-6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
CAS: 1260530-25-3
CID: 52934127
Formula: C22H22ClN5O2
MW: 423.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.9
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass423.1462027
Monoisotopic Mass423.1462027
Topological Polar Surface Area81.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity639
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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Alternative Products

CatalogName
A3445-2GSK 525768A
A14134-100GSK 525768A 100mg
A14134-50GSK 525768A 50mg
A14134-25GSK 525768A 25mg
A14134-10GSK 525768A 10mg
A14134-5GSK 525768A 5mg
A14134-2GSK 525768A 2mg
A14134-10mM-DGSK 525768A 10mM * 1mL in DMSO

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