CL-281092 - ≥95% , CAS No.51944-15-1

CAS: 51944-15-1 Cat. No.: C416692 Molecular Weight: 322.36
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
CCG-109855 | 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-phenylurea | EU-0009283 | AKOS000524932 | DTXSID401031486 | SMR000567518 | HMS2850G19 | Oprea1_001438 | 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea | S
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
C416692-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$40.90
25mg
C416692-25mg
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$139.90
50mg
C416692-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$230.90
100mg
C416692-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$420.90
250mg
C416692-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$742.90
1g
C416692-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,999.90
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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

CCK receptor ligands and CCK antagonists; cytokinin-inhibition activity.

Specifications

Synonyms
CCG-109855 | 3-(1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl)-1-phenylurea | EU-0009283 | AKOS000524932 | DTXSID401031486 | SMR000567518 | HMS2850G19 | Oprea1_001438 | 1-(1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1H-pyrazol-4-yl)-3-phenylurea | S
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
ALogP1.615
hba_count2
HBD Count2
Rotatable Bond3
Names and Identifiers
Canonical SmilesCC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
IUPAC Name1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylurea
InChIKeyMHDYKXPQKDDFFZ-UHFFFAOYSA-N
INCHI1S/C18H18N4O2/c1-13-16(20-18(24)19-14-9-5-3-6-10-14)17(23)22(21(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H2,19,20,24)
Isomeric SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=CC=CC=C3
Molecular Weight 322.36
Reaxy-Rn 323616
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=323616&ln=

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 N-phenylureas  Pyrazolones  Vinylogous amides  Heteroaromatic compounds  Ureas  Lactams  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylpyrazole - N-phenylurea - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carbonic acid derivative - Urea - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FPR2 Tchem Lipoxin A4 receptor (3472 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 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)
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 Weight322.400 g/mol
XLogP31.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass322.143 Da
Monoisotopic Mass322.143 Da
Topological Polar Surface Area64.700 Ų
Heavy Atom Count24
Formal Charge0
Complexity519.000
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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