Catalog No.:AA01ENKV

913842-25-8 | 4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide

Name: Name:4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide
Brand: AABLOCKS
SKU: AA01ENKV
Rating: 90 (10 reviews)

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Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA01ENKV

Chemical Name:

4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide

CAS Number:

913842-25-8

Molecular Formula:

C17H20F2N3O6PS

Molecular Weight:

463.3928

MDL Number:

MFCD18782735

SMILES:

O=C(CC(C)(C)C)Nc1c(F)cc(cc1F)C(=O)/N=c/1\sccn1COP(=O)(O)O

Properties

Computed Properties

Complexity:

757

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title: Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist.

Journal: Journal of medicinal chemistry 20110210

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Tags:913842-25-8 Molecular Formula|913842-25-8 MDL|913842-25-8 SMILES|913842-25-8 4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide

Catalog No.: AA01ENKV

913842-25-8 | 4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA01ENKV

Chemical Name: 4-[(3,3-Dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-[3-[(phosphonooxy)methyl]-2(3H)-thiazolylidene]benzamide

CAS Number: 913842-25-8

Molecular Formula: C17H20F2N3O6PS

Molecular Weight: 463.3928

MDL Number: MFCD18782735

SMILES: O=C(CC(C)(C)C)Nc1c(F)cc(cc1F)C(=O)/N=c/1\sccn1COP(=O)(O)O