Name: Name:Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro-
Brand: AABLOCKS
SKU: AA004GAT
Rating: 90 (10 reviews)

Catalog No.:AA004GAT

870773-76-5 | Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro-

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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA004GAT

Chemical Name:

Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro-

CAS Number:

870773-76-5

Molecular Formula:

C17H20FNO4S

Molecular Weight:

353.4084

MDL Number:

MFCD18086924

IUPAC Name:

4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid

InChI:

InChI=1S/C17H20FNO4S/c1-3-4-7-22-8-9-23-15-11(2)24-16(19-15)12-5-6-13(17(20)21)14(18)10-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,20,21)

InChI Key:

HSAOETBFVAWNRP-UHFFFAOYSA-N

SMILES:

CCCCOCCOc1nc(sc1C)c1ccc(c(c1)F)C(=O)O

UNII:

LGF3F89BZP

Properties

Computed Properties

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

353.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

353.408g/mol

Monoisotopic Mass:

353.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Synonyms

4-(4-(2-(n-butoxy)ethoxy)-5-methylthiazol-2-yl)-2-fluorobenzoic acid

AC 261066

CHEMBL198997

4-[4-(2-Butoxyethoxy-)-5-methyl-2-thiazolyl]-2-fluorobenzoic acid

4-(4-(2-butoxyethoxy)-5-methylthiazol-2-yl)-2-fluorobenzoic acid

Benzoic acid, 4-[4-(2-butoxyethoxy)-5-methyl-2-thiazolyl]-2-fluoro-

Benzoic acid, 4-(4-(2-butoxyethoxy)-5-methyl-2-thiazolyl)-2-fluoro-

MLS006010773

GTPL4054

SCHEMBL4598579

CTK3C5720

DTXSID10236116

AC-261066

BDBM50413272

ZINC13676272

AKOS024457947

NCGC00242477-01

SMR004701462

B7574

4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluorobenzoic acid

D09RRF

HSAOETBFVAWNRP-UHFFFAOYSA-N

CID11530459

AC261066

C507711

4-(4-(2-(n-butoxy)ethoxy)-5-methylthiazol-2-yl)-2-fluorobenzoic acid

4-[4-(2-butoxyethoxy)-5-methyl-1,3-thiazol-2-yl]-2-fluoro-benzoic Acid

870773-76-5

AC 261066

AC-261066

UNII-LGF3F89BZP

AC261066

LGF3F89BZP

Literature

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Aldo-keto reductases in retinoid metabolism: search for substrate specificity and inhibitor selectivity.

Journal: Chemico-biological interactions 20130225

Title: Synthesis of retinoid enhancers based on 2-aminobenzothiazoles for anti-cancer therapy.

Journal: Bioorganic & medicinal chemistry 20121201

Title: Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands.

Journal: Journal of medicinal chemistry 20090326

Title: Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist.

Journal: Journal of medicinal chemistry 20051201

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