N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide - Moligand™ , Inhibitor of serum/glucocorticoid regulated kinase 1;Inhibitor of serum/glucocorticoid regulated kinase 2;Inhibitor of serum/glucocorticoid regulated ki, Inhibitor of serum/glucocorticoid regulated kinase 1;Inhibitor of serum/glucocorticoid regulated kinase 2;Inhibitor of serum/glucocorticoid regulated kinase family member 3

CAS: N608722 Cat. No.: N608722 PubChem CID: 71506845
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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
compound 14n
Storage
Room temperature
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Size
Status
Price
Qty
5mg
N608722-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
N608722-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,384.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
compound 14n
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of serum/glucocorticoid regulated kinase 1;Inhibitor of serum/glucocorticoid regulated kinase 2;Inhibitor of serum/glucocorticoid regulated kinase family member 3
Names and Identifiers
Canonical SmilesClc1ccc(c(c1)S(=O)(=O)Nc1ccc(cc1)c1cnc2c(n1)n[nH]c2N)F
IUPAC NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-chloro-2-fluorobenzenesulfonamide
InChIKeyDDKHTWASHUKHLD-UHFFFAOYSA-N
INCHI1S/C17H12ClFN6O2S/c18-10-3-6-12(19)14(7-10)28(26,27)25-11-4-1-9(2-5-11)13-8-21-15-16(20)23-24-17(15)22-13/h1-8,25H,(H3,20,22,23,24)
Isomeric SMILES C1=CC(=CC=C1C2=NC3=NNC(=C3N=C2)N)NS(=O)(=O)C4=C(C=CC(=C4)Cl)F
PubChem CID 71506845

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Benzenesulfonamides  Pyrazolo[3,4-b]pyrazines  Benzenesulfonyl compounds  Chlorobenzenes  Fluorobenzenes  Aryl chlorides  Aryl fluorides  Pyrazines  Organosulfonamides  Heteroaromatic compounds  Aminosulfonyl compounds  Pyrazoles  Azacyclic compounds  Primary amines  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzenesulfonamide - Sulfanilide - Pyrazolo[3,4-b]pyrazine - Benzenesulfonyl group - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrazine - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Aminosulfonyl compound - Sulfonyl - Azole - Azacycle - Organoheterocyclic compound - Primary amine - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Amine - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SGK2 Tchem Serine/threonine-protein kinase Sgk2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SGK1 Tchem Serine/threonine-protein kinase Sgk1 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SGK3 Tchem Serine/threonine-protein kinase Sgk3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SGK1 Tchem Serine/threonine-protein kinase Sgk1 (2343 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGK2 Tchem Serine/threonine-protein kinase Sgk2 (2068 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGK3 Tchem Serine/threonine-protein kinase Sgk3 (1431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight418.800 g/mol
XLogP32.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass418.042 Da
Monoisotopic Mass418.042 Da
Topological Polar Surface Area135.000 Ų
Heavy Atom Count28
Formal Charge0
Complexity644.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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