HDAC3-IN-1

CAT: 0607-BA4164-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4164-1Size:1 mg

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CAS Number

2044701-99-5

Molecular Formula

C20H23N3O2

Molecular Weight

337.42

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

HDAC3 Inhibitor

CAS Number	2044701-99-5
PubChem CID	137700029
IUPAC Name	(E)-3-phenyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]prop-2-enamide
Molecular Formula	C20H23N3O2
Molecular Weight	337.4
XLogP	3.1
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	25
Formal Charge	0
Complexity	436

SMILES

CCCNNC(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2/c1-2-14-22-23-20(25)18-11-8-17(9-12-18)15-21-19(24)13-10-16-6-4-3-5-7-16/h3-13,22H,2,14-15H2,1H3,(H,21,24)(H,23,25)/b13-10+

InChIKey

MHZUZIALEUTHIU-JLHYYAGUSA-N

Chemical Structure

2D Structure

CAS: 2044701-99-5

CID: 137700029

Formula: C20H23N3O2

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	3.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	337.17902698
Monoisotopic Mass	337.17902698
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	436
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA4136-1	HDAC3-IN-T247
BA4136-5	HDAC3-IN-T247
BA4136-25	HDAC3-IN-T247
BA4136-5.1	HDAC3-IN-T247
BA4136-10	HDAC3-IN-T247
MA2966-.05	Anti-HDAC3 Rabbit Monoclonal Antibody
MA2966-.1	Anti-HDAC3 Rabbit Monoclonal Antibody
MA2965-.05	Anti-HDAC3 Rabbit Monoclonal Antibody
MA2965-.1	Anti-HDAC3 Rabbit Monoclonal Antibody
MA2964-.05	Anti-HDAC3 (3G3) Mouse Monoclonal Antibody