2027-0025 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

2027-0025 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
2027-0025 Screening compound: (5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2027-0025
(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

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

2027-0025

Molecular Formula

C19H17ClN2O3S2 (C19 H17 ClN2 O3 S2)

Compound Name

(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-3-{[(3-chloro-4-methoxyphenyl)amino]methyl}-5-{[4-(methylsulfanyl)phenyl]methylidene}-13-thiazolidine-24-dione

SMILES

COc(ccc(NCN(C(/C(/S1)=C\c(cc2)ccc2SC)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C19H17ClN2O3S2/c1-25-16-8-5-13(10-15(16)20)21-11-22-18(23)17(27-19(22)24)9-12-3-6-14(26-2)7-4-12/h3-10,21H,11H2,1-2H3

InChI Key

IUSDWJKQOAQDIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01150976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.221

Distribution Coefficient, logD

5.221

Water Solubility, LogSw

-5.82

Polar Surface Area

48.386

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with 2027-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2027-0025?
Check Price and Availability of 2027-0025, 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 2027-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2027-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2027-0025
  • 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 2027-0025 available by request