WAY-325065 - 10mM in DMSO , CAS No.689762-76-3

CAS: 689762-76-3 Cat. No.: W425534 Formula: C16H17N7S Molecular Weight: 339.41808 PubChem CID: 899174
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Germany (EU)
USA*
Price
Qty
1ml
W425534-1ml
Made to order · 8–12 wks

€178.67

€209.91
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Overview

altering the lifespan of a eukaryotic organism; Mycobacterium tuberculosis shikimate kinase (MtSk) inhibitor;

Specifications

Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties
ALogP
3.315
HBD Count
2
Rotatable Bond
5
Names and Identifiers
Canonical Smiles
CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C
IUPAC Name
2-N-(3-methylphenyl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
InChIKey
AYJVDGUGUZMEES-UHFFFAOYSA-N
INCHI
1S/C16H17N7S/c1-10-4-3-5-12(8-10)20-15-22-13(21-14(17)23-15)9-24-16-18-7-6-11(2)19-16/h3-8H,9H2,1-2H3,(H3,17,20,21,22,23)
Isomeric SMILES
CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C
PubChem CID
899174
Molecular Weight
339.41808

Documentation

📋 Safety Data Sheet (SDS)

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

<<<<<<< HEAD Download SDS → ======= Download SDS → >>>>>>> release248-p3

✅ 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
SuperclassOrganoheterocyclic compounds
ClassTriazines
SubclassAminotriazines
Intermediate Tree Nodes Not available
Direct Parent1,3,5-triazine-2,4-diamines
Alternative Parents Aniline and substituted anilines  Toluenes  Alkylarylthioethers  Pyrimidines and pyrimidine derivatives  1,3,5-triazines  Heteroaromatic compounds  Sulfenyl compounds  Secondary amines  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,4-diamine-s-triazine - Aryl thioether - Aniline or substituted anilines - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
microRNA 21 (64692 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 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
DMSO(mM) Max Solubility10
Molecular Weight339.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass339.127 Da
Monoisotopic Mass339.127 Da
Topological Polar Surface Area128.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity385.000
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
Reviews

Customer Reviews

Frequently Asked Questions

How should this product be stored?
Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 689762-76-3, the molecular formula is C16H17N7S, and the molecular weight is 339.41808 g/mol. InChIKey AYJVDGUGUZMEES-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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