PDK1-IN-RS2

CAT: 0607-BA8729-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA8729-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1643958-89-7

Form

A solid

Molecular Formula

C15H9ClN2O2S3

Molecular Weight

380.89

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pdk1-IN-RS2

CAS Number	1643958-89-7
PubChem CID	86290242
IUPAC Name	N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-sulfonamide
Molecular Formula	C15H9ClN2O2S3
Molecular Weight	380.9
XLogP	5.2
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	541

SMILES

C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C15H9ClN2O2S3/c16-10-5-6-11-13(8-10)22-15(17-11)18-23(19,20)14-7-9-3-1-2-4-12(9)21-14/h1-8H,(H,17,18)

InChIKey

MZAVPBQCWWIYEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1643958-89-7

CID: 86290242

Formula: C15H9ClN2O2S3

MW: 380.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.9
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	379.9514687
Monoisotopic Mass	379.9514687
Topological Polar Surface Area	124 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	541
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
A3706-100	PDK1 inhibitor
A3706-10	PDK1 inhibitor
A3706-50	PDK1 inhibitor
C8533-5	PDK1-IN-2
C8533-1	PDK1-IN-2
A3706-5	PDK1 inhibitor
B5838-5	BX517(PDK1 inhibitor2)
B5838-25	BX517(PDK1 inhibitor2)
B5838-5.1	BX517(PDK1 inhibitor2)
MA4249-.1	Anti-PDK1 Rabbit Monoclonal Antibody