Sematilide hydrochloride - Moligand™,≥98% , CAS No.101526-62-9

CAS: 101526-62-9 Cat. No.: S694044 Molecular Weight: 349.88
AVAILABLE TO ORDER
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. ≥98%
Synonyms
Sematilide HCl | CK-1752A hydrochloride
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S694044-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$42.90
25mg
S694044-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$135.90
100mg
S694044-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$349.90
500mg
S694044-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,099.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
Sematilide HCl | CK-1752A hydrochloride
Specifications & Purity
Moligand™, ≥98%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Purity
≥98%
Names and Identifiers
Canonical SmilesCCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C
IUPAC NameN-[2-(diethylamino)ethyl]-4-(methanesulfonamido)benzamide
InChIKeyKHYPYQZQJSBPIX-UHFFFAOYSA-N
INCHI1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)
Isomeric SMILES CCN(CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C.Cl
Molecular Weight 349.88

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassSulfanilides
Intermediate Tree Nodes Not available
Direct ParentSulfanilides
Alternative Parents Benzamides  Benzoyl derivatives  Organosulfonamides  Organic sulfonamides  Aminosulfonyl compounds  Trialkylamines  Secondary carboxylic acid amides  Amino acids and derivatives  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Sulfanilide - Benzamide - Benzoic acid or derivatives - Benzoyl - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic 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)
SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCB11 Tchem Bile salt export pump (2311 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADRB1 Tclin Adrenergic receptor beta (1214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POU2F1 Tbio POU domain, class 2, transcription factor 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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
SensitivityMoisture sensitive
Molecular Weight313.420 g/mol
XLogP30.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass313.146 Da
Monoisotopic Mass313.146 Da
Topological Polar Surface Area86.900 Ų
Heavy Atom Count21
Formal Charge0
Complexity408.000
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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