4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide , CAS No.B668384

CAS: B668384 Cat. No.: B668384 Molecular Weight: 339.4
AVAILABLE TO ORDER
Synonyms
SMR000092081 | CBMicro_047757 | Cambridge id 6239959 | Oprea1_114662 | Oprea1_657700 | MLS000114753 | MLS002585462 | MFGAZEXFQHHYLA-UHFFFAOYSA-N | BDBM188478 | HMS1617A03 | HMS2266F09 | 4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide | US9
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B668384-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
B668384-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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
SMR000092081 | CBMicro_047757 | Cambridge id 6239959 | Oprea1_114662 | Oprea1_657700 | MLS000114753 | MLS002585462 | MFGAZEXFQHHYLA-UHFFFAOYSA-N | BDBM188478 | HMS1617A03 | HMS2266F09 | 4-(1, 3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide | US9
Storage
Room temperature
Product Properties
ALogP2.2
Names and Identifiers
Canonical SmilesC1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4
IUPAC Name4-(1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
InChIKeyMFGAZEXFQHHYLA-UHFFFAOYSA-N
INCHI1S/C19H21N3O3/c23-19(20-16-4-2-1-3-5-16)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)25-14-24-17/h1-7,12H,8-11,13-14H2,(H,20,23)
Isomeric SMILES C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC=C4
Molecular Weight 339.4
Reaxy-Rn 11712983
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11712983&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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassN-phenylureas
Intermediate Tree Nodes Not available
Direct ParentN-phenylureas
Alternative Parents Piperazine carboxamides  Benzodioxoles  N-alkylpiperazines  Aralkylamines  Ureas  Trialkylamines  Oxacyclic compounds  Azacyclic compounds  Acetals  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-phenylurea - Benzodioxole - Piperazine-1-carboxamide - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Urea - Acetal - Oxacycle - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FAAH Tchem Fatty-acid amide hydrolase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 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
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Faah Anandamide amidohydrolase (3907 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
Molecular Weight339.400 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass339.158 Da
Monoisotopic Mass339.158 Da
Topological Polar Surface Area54.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity447.000
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

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.