M77976 - ≥95% , CAS No.394237-61-7

CAS: 394237-61-7 Cat. No.: W418019 Molecular Weight: 296.32 EC Number: 126-567-5 PubChem CID: 764764
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
MS-24247 | PDHK RIKEN | Q27097572 | SMR003240242 | SR-01000443979 | AKOS002164191 | NCGC00263231-01 | AB00113935-01 | 4-[4-(4-Methoxy-phenyl)-5-methyl-1H-pyrazol-3-yl]-benzene-1,3-diol | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol | O
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
W418019-1mg
1
$79.90
5mg
W418019-5mg
1
$199.90
10mg
W418019-10mg
1
$339.90
25mg
W418019-25mg
1
$519.90
50mg
W418019-50mg
1
$799.90
100mg
W418019-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,279.90
200mg
W418019-200mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,999.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C 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.

Overview

Hsp90 inhibitor/ inhibits histidine kinases C. crescentus CckA; Hsp90α inhibitor; PDK4 inhibitor; HSP90 inhibitor; PPAR agonist; glucokinase activators;

Specifications

Synonyms
MS-24247 | PDHK RIKEN | Q27097572 | SMR003240242 | SR-01000443979 | AKOS002164191 | NCGC00263231-01 | AB00113935-01 | 4-[4-(4-Methoxy-phenyl)-5-methyl-1H-pyrazol-3-yl]-benzene-1, 3-diol | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1, 3-diol | O
Specifications & Purity
≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Product Properties
ALogP3.384
HBD Count3
Rotatable Bond3
Names and Identifiers
Canonical SmilesCC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
InChIKeyGSBFARPNIZUMHA-UHFFFAOYSA-N
INCHI1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
Isomeric SMILES CC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC
PubChem CID 764764
Molecular Weight 296.32

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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Resorcinols  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpyrazole - Phenoxy compound - Anisole - Methoxybenzene - Resorcinol - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDK1 Tchem Pyruvate dehydrogenase kinase isoform 1 (2021 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
HSC82 Heat shock protein HSP 90 (HSC82) (14 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caulobacter vibrioides (128 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus subtilis (32866 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Schistosoma mansoni (6170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
phoQ Virulence sensor histidine kinase phoQ (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
divJ Histidine protein kinase DivJ (27 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
cckA Cell cycle histidine kinase CckA (37 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:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
G2417500Certificate of AnalysisApr 03, 2024 W418019
G2417501Certificate of AnalysisApr 03, 2024 W418019
G2417502Certificate of AnalysisApr 03, 2024 W418019
G2417503Certificate of AnalysisApr 03, 2024 W418019
G2417504Certificate of AnalysisApr 03, 2024 W418019
G2417505Certificate of AnalysisApr 03, 2024 W418019
G2417506Certificate of AnalysisApr 03, 2024 W418019
G2417507Certificate of AnalysisApr 03, 2024 W418019
G2417508Certificate of AnalysisApr 03, 2024 W418019
G2417509Certificate of AnalysisApr 03, 2024 W418019
G2417510Certificate of AnalysisApr 03, 2024 W418019
G2417511Certificate of AnalysisApr 03, 2024 W418019

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Chemical and Physical Properties
DMSO(mM) Max Solubility10
Molecular Weight296.320 g/mol
XLogP33.200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass296.116 Da
Monoisotopic Mass296.116 Da
Topological Polar Surface Area78.400 Ų
Heavy Atom Count22
Formal Charge0
Complexity360.000
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

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