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TP-353 - 98%, high purity , CAS No.1253799-29-9

COA

Grade & Purity:

≥98%

Cas Number: 1253799-29-9
Molecular Weight: 531.6
PubChem CID: 71739305

In stock

Item Number

T412158

Grouped product items
SKU	Size	Availability	Price
T412158-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$48.90
T412158-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$83.90
T412158-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$226.90

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Aryl group (63) Organic building blocks (409)

Basic Description

Synonyms	1253799-29-9 \| phenyl 2-(benzyloxy)-3-(dibenzylamino)-5-fluoro-6-methylbenzoate \| TP353 \| TP-353 \| phenyl 5-(dibenzylamino)-3-fluoro-2-methyl-6-phenylmethoxybenzoate \| SCHEMBL113438 \| C35H30FNO3 \| BCP09207 \| EX-A1519 \| 2-Benzyloxy-3-dibenzylaMino-5-fluoro-6-Methyl-benzoic
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	TP353 (EOS-61973) is an inhibitor of CDK7.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information TP353 (EOS-61973) is an inhibitor of CDK7.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Depsides and depsidones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Depsides and depsidones
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Depsides and depsidones
Alternative Parents	Phenylbenzamines 3-halobenzoic acids and derivatives Phenol esters Aminobenzoic acids and derivatives Benzoic acid esters Aminophenyl ethers Phenoxy compounds Aminotoluenes Aniline and substituted anilines Benzoyl derivatives Benzylamines Dialkylarylamines Aralkylamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Amino acids and derivatives Carboxylic acid esters Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Depside backbone - Phenylbenzamine - Phenol ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aminophenyl ether - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzylamine - Phenylmethylamine - Phenol ether - Benzoyl - Phenoxy compound - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
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	phenyl 5-(dibenzylamino)-3-fluoro-2-methyl-6-phenylmethoxybenzoate
INCHI	InChI=1S/C35H30FNO3/c1-26-31(36)22-32(37(23-27-14-6-2-7-15-27)24-28-16-8-3-9-17-28)34(39-25-29-18-10-4-11-19-29)33(26)35(38)40-30-20-12-5-13-21-30/h2-22H,23-25H2,1H3
InChIKey	VRXGVVAMXZXKNA-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)F
Isomeric SMILES	CC1=C(C=C(C(=C1C(=O)OC2=CC=CC=C2)OCC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)F
PubChem CID	71739305
Molecular Weight	531.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	531.600 g/mol
XLogP3	8.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	11
Exact Mass	531.221 Da
Monoisotopic Mass	531.221 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	719.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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