1996-0249 Screening compound: (5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one

1996-0249 Screening compound: (5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
1996-0249 Screening compound: (5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0249
(5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(2,4,6-trimethylphenyl)methylidene]-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

1996-0249

Molecular Formula

C20H16F3NOS2 (C20 H16 F3 NOS2)

Compound Name

(5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-5-[(246-trimethylphenyl)methylidene]-13-thiazolidin-4-one

SMILES

Cc1cc(C)c(/C=C(/C(N2c3cc(C(F)(F)F)ccc3)=O)\SC2=S)c(C)c1

InChI

InChI=1S/C20H16F3NOS2/c1-11-7-12(2)16(13(3)8-11)10-17-18(25)24(19(26)27-17)15-6-4-5-14(9-15)20(21,22)23/h4-10H,1-3H3

InChI Key

TTYUBMHJHVYZMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.303

Distribution Coefficient, logD

6.303

Water Solubility, LogSw

-5.69

Polar Surface Area

15.831

Acid Dissociation Constant (pKa)

27.63

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1996-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0249?
Check Price and Availability of 1996-0249, 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 1996-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0249
  • 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 1996-0249 available by request