HDAC3-IN-T247

CAT: 0607-BA4136-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4136-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1451042-18-4

Form

A solid

Molecular Formula

C21H19N5OS

Molecular Weight

389.47

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide

CAS Number	1451042-18-4
PubChem CID	71721946
IUPAC Name	N-(2-aminophenyl)-4-[1-(2-thiophen-3-ylethyl)triazol-4-yl]benzamide
Molecular Formula	C21H19N5OS
Molecular Weight	389.5
XLogP	3.1
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	513

SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)C3=CN(N=N3)CCC4=CSC=C4

InChI

InChI=1S/C21H19N5OS/c22-18-3-1-2-4-19(18)23-21(27)17-7-5-16(6-8-17)20-13-26(25-24-20)11-9-15-10-12-28-14-15/h1-8,10,12-14H,9,11,22H2,(H,23,27)

InChIKey

LBLSLSOENGWIHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1451042-18-4

CID: 71721946

Formula: C21H19N5OS

MW: 389.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	389.5
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	389.13103142
Monoisotopic Mass	389.13103142
Topological Polar Surface Area	114 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	513
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MA2965-.1	Anti-HDAC3 Rabbit Monoclonal Antibody
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