MolGraph
CompoundsDocumentationComplianceAbout
MolGraph

Research chemical sourcing and molecular building block RFQ workflows.

MolGraph is operated by Tessorix Inc.

support@molgraph.com

Products are intended for laboratory research use only and are not for human or veterinary use.

Compounds

  • Compound catalog
  • CAS Search

Company

  • About
  • Contact

Documentation

  • Quality Documentation
  • SDS Disclaimer

Compliance

  • Compliance

Legal

  • Terms
  • Privacy

Copyright © 2026 MolGraph. All Rights Reserved.

Home/Compounds/CAS 333994-00-6
Formula C31H41ClN4O3MW 553.1Research-use catalog entryCOA/SDS by request

Tak-220

CAS Number: 333994-00-6

Sourcing & RFQ

Submit an RFQ to review pricing, availability, lead time, pack size, purity, COA, and supplier SDS for this catalog entry.

Available options

Available Options

Package
1 mg
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
5 mg
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required

Shipping review is required before pricing or stock can be confirmed publicly. Shipping, duties, and documentation fees are confirmed before order acceptance.

Loading RDKit molecule structure...
InChIKey: ASSJTMUEFHUKMJ-UHFFFAOYSA-NC31H41ClN4O3 | MW 553.1

Chemical Absolute Identifiers

CAS Number

333994-00-6

PubChem CID

5275766

Molecular Formula

C31H41ClN4O3

Molecular Weight

553.1 g/mol

Exact Mass

552.286719

InChIKey

ASSJTMUEFHUKMJ-UHFFFAOYSA-N

IUPAC Name

1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide

SMILES String

CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(C)c(Cl)c2)CC1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Tak-220 (CAS 333994-00-6) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C31H41ClN4O3 and molecular weight 553. 10 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: C-C chemokine receptor type 5 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

C-C chemokine receptor type 5

Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 9.38

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Tak-220

Names & Synonyms

TAK 2201-ACETYL-N-(3-{4-[(4-CARBAMOYLPHENYL)METHYL]PIPERIDIN-1-YL}PROPYL)-N-(3-CHLORO-4-METHYLPHENYL)PIPERIDINE-4-CARBOXAMIDE1-acetyl-N-(3-(4-((4-carbamoylphenyl)methyl)piperidin-1-yl)propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide1-acetyl-N-(3-{4-((4-carbamoylphenyl)methyl)piperidin-1-yl}propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide1-acetyl-N-(3-(4-(4-carbamoylbenzyl)piperidin-1-yl)propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
Show all synonyms
1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]-1-piperidyl]propyl]-N-(3-chloro-4-methyl-phenyl)piperidine-4-carboxamide1-acetyl-N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide4-PIPERIDINECARBOXAMIDE, 1-ACETYL-N-(3-(4-((4-(AMINOCARBONYL)PHENYL)METHYL)-1-PIPERIDINYL)PROPYL)-N-(3-CHLORO-4-METHYLPHENYL)-4-Piperidinecarboxamide, 1-acetyl-N-[3-[4-[[4-(aminocarbonyl)phenyl]methyl]-1-piperidinyl]propyl]-N-(3-chloro-4-methylphenyl)-C31H41ClN4O3
External Identifiers
DSSTOX SUBSTANCE ID: DTXSID00187027CHEMBL ID: CHEMBL207004UNII: 928QIN0R16WIKIDATA ID: Q27088928
Literature & Patent References
DOI 10.1016/j.ejmech.2023.115294Multitargeted drug design strategy for discovery of short-peptide-based HIV-1 entry inhibitors with high potency.PMID 36944281Multitargeted drug design strategy for discovery of short-peptide-based HIV-1 entry inhibitors with high potency.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsDOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/acs.jmedchem.6b01309Structural Analysis of Chemokine Receptor-Ligand Interactions.PMID 28165741Structural Analysis of Chemokine Receptor-Ligand Interactions.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

BX-471 free baseCAS 217645-70-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 333994-00-6

What are the key identifiers for Tak-220 (CAS 333994-00-6)?

Tak-220 is identified by CAS 333994-00-6, with molecular formula C31H41ClN4O3, molecular weight 553.1, InChIKey ASSJTMUEFHUKMJ-UHFFFAOYSA-N.

Does CAS 333994-00-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with C-C chemokine receptor type 5. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 333994-00-6?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Tak-220?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 333994-00-6 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.