4896-3521 Screening compound: 4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}benzoic acid

4896-3521 Screening compound: 4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}benzoic acid
4896-3521 Screening compound: 4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3521
4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}benzoic acid

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

4896-3521

Molecular Formula

C13H11NO3S2 (C13 H11 NO3 S2)

Compound Name

4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-4,5-dihydro-1,3-thiazol-4-ylidene]methyl}benzoic acid

IUPAC name

4-{[(4Z)-2-(ethylsulfanyl)-5-oxo-45-dihydro-13-thiazol-4-ylidene]methyl}benzoic acid

SMILES

CCSC(SC1=O)=N/C1=C\c(cc1)ccc1C(O)=O

InChI

InChI=1S/C13H11NO3S2/c1-2-18-13-14-10(12(17)19-13)7-8-3-5-9(6-4-8)11(15)16/h3-7H,2H2,1H3,(H,15,16)

InChI Key

PXOZZALUUBNNST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

-0.019

Water Solubility, LogSw

-3.58

Polar Surface Area

50.762

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4896-3521 in Drug Discovery

Included in Screening Libraries

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 4896-3521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3521?
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What is the minimum amount of 4896-3521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3521
  • 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 4896-3521 available by request