8003-4587 Screening compound: ethyl 4-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

8003-4587 Screening compound: ethyl 4-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate
8003-4587 Screening compound: ethyl 4-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4587
ethyl 4-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8003-4587

Molecular Formula

C19H15FN4O3S (C19 H15 FN4 O3 S)

Compound Name

ethyl 4-{[6-amino-3,5-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

IUPAC name

ethyl 4-{[6-amino-35-dicyano-4-(4-fluorophenyl)pyridin-2-yl]sulfanyl}-3-oxobutanoate

SMILES

CCOC(CC(CSc(c(C#N)c1-c(cc2)ccc2F)nc(N)c1C#N)=O)=O

InChI

InChI=1S/C19H15FN4O3S/c1-2-27-16(26)7-13(25)10-28-19-15(9-22)17(14(8-21)18(23)24-19)11-3-5-12(20)6-4-11/h3-6H,2,7,10H2,1H3,(H2,23,24)

InChI Key

GLCIGKOSFNHOCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.599

Distribution Coefficient, logD

2.599

Water Solubility, LogSw

-2.88

Polar Surface Area

96.437

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8003-4587 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8003-4587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4587?
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What is the minimum amount of 8003-4587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4587
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8003-4587 available by request