4490-1919 Screening compound: methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate

4490-1919 Screening compound: methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate
4490-1919 Screening compound: methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1919
methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)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

4490-1919

Molecular Formula

C22H21NO5S2 (C22 H21 NO5 S2)

Compound Name

methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate

IUPAC name

methyl 2-(4-{[(5E)-3-benzyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetate

SMILES

CCOc(cc(/C=C(\C(N1Cc2ccccc2)=O)/SC1=S)cc1)c1OCC(OC)=O

InChI

InChI=1S/C22H21NO5S2/c1-3-27-18-11-16(9-10-17(18)28-14-20(24)26-2)12-19-21(25)23(22(29)30-19)13-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3

InChI Key

XEBDXICTABNSOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.71

Polar Surface Area

51.817

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4490-1919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1919?
Check Price and Availability of 4490-1919, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4490-1919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1919
  • 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 4490-1919 available by request