APE1-IN-1

CAT: 0607-BA3980-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3980-50Size:50 mg

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

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CAS Number

524708-03-0

Form

A solid

Molecular Formula

C19H21N3OS2

Molecular Weight

371.52

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

APE1 Inhibitor III

CAS Number	524708-03-0
PubChem CID	3581333
IUPAC Name	N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
Molecular Formula	C19H21N3OS2
Molecular Weight	371.5
XLogP	3.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	503

SMILES

CC(C)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C

InChI

InChI=1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)

InChIKey

JMSPCTGDYFVMJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 524708-03-0

CID: 3581333

Formula: C19H21N3OS2

MW: 371.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.5
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	371.11260465
Monoisotopic Mass	371.11260465
Topological Polar Surface Area	102 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	503
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

Catalog	Name
MA1259-.1	Anti-APE1 Rabbit Monoclonal Antibody
MA1260-.1	Anti-APE1 Rabbit Monoclonal Antibody
MA1259-.05	Anti-APE1 Rabbit Monoclonal Antibody
MA1260-.05	Anti-APE1 Rabbit Monoclonal Antibody
N2864-5.1	1,1,1,1-Kestohexaose
N2864-100	1,1,1,1-Kestohexaose
N2864-1	1,1,1,1-Kestohexaose
N2864-10	1,1,1,1-Kestohexaose
N2864-500	1,1,1,1-Kestohexaose
N2864-50	1,1,1,1-Kestohexaose