4896-3611 Screening compound: (4Z)-4-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one

4896-3611 Screening compound: (4Z)-4-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one
4896-3611 Screening compound: (4Z)-4-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(methylsulfanyl)-4,5-dihydro-1,3-thiazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3611
(4Z)-4-{[2-(benzyloxy)-3-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

4896-3611

Molecular Formula

C19H17NO3S2 (C19 H17 NO3 S2)

Compound Name

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

IUPAC name

(4Z)-4-{[2-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(methylsulfanyl)-45-dihydro-13-thiazol-5-one

SMILES

COc1cccc(/C=C2\N=C(SC)SC2=O)c1OCc1ccccc1

InChI

InChI=1S/C19H17NO3S2/c1-22-16-10-6-9-14(11-15-18(21)25-19(20-15)24-2)17(16)23-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3

InChI Key

WWRQRCQAZUUESW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01929731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.79

Polar Surface Area

37.385

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

4896-3611 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4896-3611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3611?
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What is the minimum amount of 4896-3611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3611
  • 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 4896-3611 available by request