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SP2509

CAT: 0607-B4894-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B4894-10Size:10 mg
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Description
Demethylase 1 (LSD1) antagonist, novel Lysine-specific
CAS Number
1423715-09-6
Product Name Alternative
(E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
Field of Research
Chromatin Epigenetics Histone Demethylases
Purity
0.9959
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥19.45 mg/mL in DMSO
Smiles
OC1=CC=C(Cl)C=C1/C(C)=N/NC(C2=CC=CC(S(=O)(N3CCOCC3)=O)=C2)=O
Molecular Formula
C19H20ClN3O5S
Molecular Weight
437.90
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
CAS Number1423715-09-6
PubChem CID135743577
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.9
XLogP2.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity705
SMILES
C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)/C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
InChIKey
NKUDGJUBIVEDTF-FYJGNVAPSA-N
Chemical Structure
2D Structure
2D structure of (E)-N'-(1-(5-chloro-2-hydroxyphenyl)ethylidene)-3-(morpholinosulfonyl)benzohydrazide
CAS: 1423715-09-6
CID: 135743577
Formula: C19H20ClN3O5S
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass437.0812196
Monoisotopic Mass437.0812196
Topological Polar Surface Area117 Ų
Heavy Atom Count29
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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