1674-0057 Screening compound: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

1674-0057 Screening compound: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
1674-0057 Screening compound: (5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1674-0057
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-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

1674-0057

Molecular Formula

C18H12F3NO3S2 (C18 H12 F3 NO3 S2)

Compound Name

(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-4-one

SMILES

COc(ccc(/C=C(\C(N1c2cc(C(F)(F)F)ccc2)=O)/SC1=S)c1)c1O

InChI

InChI=1S/C18H12F3NO3S2/c1-25-14-6-5-10(7-13(14)23)8-15-16(24)22(17(26)27-15)12-4-2-3-11(9-12)18(19,20)21/h2-9,23H,1H3

InChI Key

HIKOVHKQAXROBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.08

Polar Surface Area

40.009

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1674-0057 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1674-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1674-0057?
Check Price and Availability of 1674-0057, 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 1674-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1674-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1674-0057
  • 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 1674-0057 available by request