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JQ1 (+/-)

CAT: 0013-GTR19154315-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154315-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JQ1 (+/-)
CAS Number
1268524-69-1
Field of Research
Epigenetics & Chromatin
Purity
>98%
Bioactivity
Bromodomain inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 9 mg/ml) or in Ethanol (up to 9 mg/ml) with warming.
Molecular Formula
C23H25ClN4O2S
Molecular Weight
457.00
Storage Conditions
RT
Notes
For research use only.
Other Product Names
(6R, S) -4- (4-Chlorophenyl) -2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 1,1-dimethylethyl ester

Chemical Information

tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate

LSM-6732 is a tert-butyl ester, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

CAS Number1268524-69-1
PubChem CID49871817
IUPAC Nametert-butyl 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate
Molecular FormulaC23H25ClN4O2S
Molecular Weight457.0
XLogP4.9
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity706
SMILES
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3
InChIKey
DNVXATUJJDPFDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-6-yl)acetate
CAS: 1268524-69-1
CID: 49871817
Formula: C23H25ClN4O2S
MW: 457.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.0
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass456.1386749
Monoisotopic Mass456.1386749
Topological Polar Surface Area97.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity706
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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