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XD14

CAT: 0013-GTR19173528-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19173528-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XD14 is a potent small molecule BET bromodomain inhibitor, exhibiting nanomolar binding affinity for BRD2, BRD3, and BRD4 isoforms. This compound is a valuable research tool for investigating BET protein function in epigenetic regulation, cancer biology, and inflammatory diseases in both cellular and animal models.
CAS Number
1370888-71-3
Product Name Alternative
BET bromodomain, Inhibitor, inhibit, Epigenetic Reader Domain, EpigeneticReaderDomain, XD 14, XD14, XD-14
Field of Research
Epigenetics & Chromatin
Purity
97.46% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.37 mM) ; DMSO:4.22 mg/mL (10.01 mM)
Smiles
CCN (CC) S (=O) (=O) c1ccc (O) c (NC (=O) c2[nH]c (C) c (C (C) =O) c2CC) c1
Molecular Formula
C20H27N3O5S
Molecular Weight
421.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CAS Number1370888-71-3
PubChem CID52670832
IUPAC Name4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
Molecular FormulaC20H27N3O5S
Molecular Weight421.5
XLogP2.3
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity689
SMILES
CCC1=C(NC(=C1C(=O)C)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)O
InChI
InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)
InChIKey
DPBKLIVPNYGQQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CAS: 1370888-71-3
CID: 52670832
Formula: C20H27N3O5S
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass421.16714214
Monoisotopic Mass421.16714214
Topological Polar Surface Area128 Ų
Heavy Atom Count29
Formal Charge0
Complexity689
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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CatalogName
BUP02622-01XD14
A24398-100XD14 100mg
A24398-50XD14 50mg
A24398-10XD14 10mg
A24398-5XD14 5mg

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