4896-0122 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

4896-0122 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one
4896-0122 Screening compound: (4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0122
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

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

4896-0122

Molecular Formula

C12H11NO2S2 (C12 H11 NO2 S2)

Compound Name

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

IUPAC name

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(methylsulfanyl)-45-dihydro-13-thiazol-5-one

SMILES

COc1c(/C=C2\N=C(SC)SC2=O)cccc1

InChI

InChI=1S/C12H11NO2S2/c1-15-10-6-4-3-5-8(10)7-9-11(14)17-12(13-9)16-2/h3-7H,1-2H3

InChI Key

RHHUOHRPNOJEKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.395

Water Solubility, LogSw

-3.77

Polar Surface Area

29.984

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4896-0122 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4896-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0122
  • 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 4896-0122 available by request