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XD14

CAT: 1410-M22392-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M22392-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XD14 is an inhibitor of BET bromodomain (Kd of 160 nM, 170 nM, 380 nM, 490 nM, 830 nM and 850 nM for BRD4 (1), BRD2 (1), BRD3 (1), BRD3 (2), BRD2 (2) and BRD4 (2), respectively) .
CAS Number
1370888-71-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
421.51
Molecular Formula
C20H27N3O5S
Notes
Research use only, not for human use.
Receptor
BET bromodomain

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

Alternative Products

CatalogName
BUP02622-01XD14
A24398-100XD14 100mg
A24398-50XD14 50mg
A24398-10XD14 10mg
A24398-5XD14 5mg

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