4489-3312 Screening compound: (5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

4489-3312 Screening compound: (5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
4489-3312 Screening compound: (5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3312
(5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-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

4489-3312

Molecular Formula

C18H13ClFNO3S2 (C18 H13 ClFNO3 S2)

Compound Name

(5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1OCc(c(F)ccc1)c1Cl

InChI

InChI=1S/C18H13ClFNO3S2/c1-23-15-7-10(8-16-17(22)21-18(25)26-16)5-6-14(15)24-9-11-12(19)3-2-4-13(11)20/h2-8H,9H2,1H3,(H,21,22,25)

InChI Key

SFUSUXWTKWNKKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.403

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-3.89

Polar Surface Area

39.845

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 4489-3312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3312?
Check Price and Availability of 4489-3312, 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 4489-3312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3312
  • 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 4489-3312 available by request