CB7833407

CAT: 0931-T26960-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T26960-02Size:50 mg

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

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CAS Number

708235-96-5

Target

Others

Related Pathways

Others

Bioactivity

CB7833407 is a selective Adenylyl Cyclase isoform-2 (AC2) inhibitor.

Smiles

CC(SC1=NC(N)=CC(=O)N1)C(=O)NC1=CC=CC(Cl)=C1

Molecular Formula

C13H13ClN4O2S

Molecular Weight

324.79

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide

CAS Number	708235-96-5
PubChem CID	135401487
IUPAC Name	2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
Molecular Formula	C13H13ClN4O2S
Molecular Weight	324.79
XLogP	1.7
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	495

SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NC(=CC(=O)N2)N

InChI

InChI=1S/C13H13ClN4O2S/c1-7(21-13-17-10(15)6-11(19)18-13)12(20)16-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,20)(H3,15,17,18,19)

InChIKey

VSMMUFQWUKGEOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 708235-96-5

CID: 135401487

Formula: C13H13ClN4O2S

MW: 324.79

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	324.79
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	324.0447745
Monoisotopic Mass	324.0447745
Topological Polar Surface Area	122 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	495
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5776683	CB7833407

CB7833407

Chemical Information

Alternative Products

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