1'-Benzyl-3H-spiro[1,3-benzothiazole-2,4'-piperidine] - ≥95% , CAS No.63208-95-7

CAS: 63208-95-7 Cat. No.: B701370 Molecular Weight: 296.44 PubChem CID: 2814800
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
500mg
B701370-500mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$617.90
1g
B701370-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$778.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% 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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CN(CCC12NC3=CC=CC=C3S2)CC4=CC=CC=C4
IUPAC Name1'-benzylspiro[3H-1,3-benzothiazole-2,4'-piperidine]
InChIKeyVNSVQTGIKLTTQJ-UHFFFAOYSA-N
INCHI1S/C18H20N2S/c1-2-6-15(7-3-1)14-20-12-10-18(11-13-20)19-16-8-4-5-9-17(16)21-18/h1-9,19H,10-14H2
Isomeric SMILES C1CN(CCC12NC3=CC=CC=C3S2)CC4=CC=CC=C4
PubChem CID 2814800
Molecular Weight 296.44

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
ClassPiperidines
SubclassBenzylpiperidines
Intermediate Tree Nodes Not available
Direct ParentN-benzylpiperidines
Alternative Parents Benzothiazoles  Phenylmethylamines  Benzylamines  Secondary alkylarylamines  Aralkylamines  Alkylarylthioethers  Thiazoles  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-benzylpiperidine - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzylamine - Phenylmethylamine - Aralkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Thiazole - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Thioether - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 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
Melt Point(°C)127-129
Molecular Weight296.400 g/mol
XLogP34.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass296.135 Da
Monoisotopic Mass296.135 Da
Topological Polar Surface Area40.600 Ų
Heavy Atom Count21
Formal Charge0
Complexity345.000
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.