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tert-butyl (3S)-4-[6-[(5-chloro-2-methoxy-3-pyridyl)amino]-3-pyridyl]-3-methyl-piperazine-1-carboxylate - 97%, high purity , CAS No.1433854-85-3

COA

Grade & Purity:

≥97%

Cas Number: 1433854-85-3
Molecular Weight: 433.93
PubChem CID: 86684013

In stock

Item Number

T629194

Grouped product items
SKU	Size	Availability	Price
T629194-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
T629194-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T629194-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$217.90
T629194-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$363.90
T629194-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,820.90

Basic Description

Synonyms	1433854-85-3 \| tert-Butyl (3S)-4-{6-[(5-chloro-2-methoxypyridin-3-yl)amino]pyridin-3-yl}-3-methylpiperazine-1-carboxylate \| tert-Butyl (3s)-4-(6-[(5-chloro-2-methoxypyridin-3-yl)amino]pyridin-3-yl)-3-methylpiperazine-1-carboxylate \| SCHEMBL14926104 \| MFCD
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Piperazine carboxylic acids Dialkylarylamines Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl chlorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinylpiperazine - N-arylpiperazine - Piperazine-1-carboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aminopyridine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl (3S)-4-[6-[(5-chloro-2-methoxypyridin-3-yl)amino]pyridin-3-yl]-3-methylpiperazine-1-carboxylate
INCHI	InChI=1S/C21H28ClN5O3/c1-14-13-26(20(28)30-21(2,3)4)8-9-27(14)16-6-7-18(23-12-16)25-17-10-15(22)11-24-19(17)29-5/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,23,25)/t14-/m0/s1
InChIKey	KKFMFYGEYZKANS-AWEZNQCLSA-N
Smiles	CC1CN(CCN1C2=CN=C(C=C2)NC3=C(N=CC(=C3)Cl)OC)C(=O)OC(C)(C)C
Isomeric SMILES	C[C@H]1CN(CCN1C2=CN=C(C=C2)NC3=C(N=CC(=C3)Cl)OC)C(=O)OC(C)(C)C
PubChem CID	86684013
Molecular Weight	433.93

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	433.900 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	433.188 Da
Monoisotopic Mass	433.188 Da
Topological Polar Surface Area	79.800 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	575.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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