8006-4125 Screening compound: ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate

8006-4125 Screening compound: ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate
8006-4125 Screening compound: ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4125
ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate

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

8006-4125

Molecular Formula

C14H12ClNO3S2 (C14 H12 ClNO3 S2)

Compound Name

ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-45-dihydro-13-thiazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(S/C1=C/c(cc2)ccc2Cl)=NC1=O)=O

InChI

InChI=1S/C14H12ClNO3S2/c1-2-19-12(17)8-20-14-16-13(18)11(21-14)7-9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3

InChI Key

ZAKMNXNKYSLRSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00503056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.476

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-4.11

Polar Surface Area

43.138

Acid Dissociation Constant (pKa)

29.70

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8006-4125 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4125?
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What is the minimum amount of 8006-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4125
  • 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 8006-4125 available by request