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(-)-JQ1

CAT: 0607-A8181-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A8181-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Stereoisomer of (+)-JQ1, used as negative control
CAS Number
1268524-71-5
Product Name Alternative
(R)-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
Sequence
(-)-JQ1
Field of Research
Chromatin Epigenetics Bromodomain
Purity
0.9906
Form
A solid
Solubility
≥22.85 mg/mL in DMSO; insoluble in H2O; ≥46.9 mg/mL in EtOH with ultrasonic
Smiles
CC1=C(C)SC2=C1C(C3=CC=C(Cl)C=C3)=N[C@H](CC(OC(C)(C)C)=O)C4=NN=C(C)N24
Molecular Formula
C23H25ClN4O2S
Molecular Weight
456.99
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1,1-Dimethylethyl (6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetate

LSM-6333 is a tert-butyl ester, an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

CAS Number1268524-71-5
PubChem CID49871818
IUPAC Nametert-butyl 2-[(9R)-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(=N[C@@H](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/t17-/m1/s1
InChIKey
DNVXATUJJDPFDM-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethylethyl (6R)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetate
CAS: 1268524-71-5
CID: 49871818
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-137075-01(±) -JQ1
27334(-)-JQ1
S7110-25mg(+) -JQ1
sc-472932(+/-) -JQ1
bs-82200C-01JQ1 (+/-)
4499/10(+)-JQ1
bs-82331C-01JQ1 (+)
TAC52471-01(-) -JQ1
MBS3601126-01JQ1

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