1611-4250 Screening compound: (5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one

1611-4250 Screening compound: (5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one
1611-4250 Screening compound: (5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4250
(5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}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

1611-4250

Molecular Formula

C22H14F3NO2S2 (C22 H14 F3 NO2 S2)

Compound Name

(5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-benzyl-2-sulfanylidene-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\c2ccc(-c3cc(C(F)(F)F)ccc3)o2)N(Cc2ccccc2)C1=S

InChI

InChI=1S/C22H14F3NO2S2/c23-22(24,25)16-8-4-7-15(11-16)18-10-9-17(28-18)12-19-20(27)26(21(29)30-19)13-14-5-2-1-3-6-14/h1-12H,13H2

InChI Key

QBJFOTYNKBEBLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.431

Distribution Coefficient, logD

6.431

Water Solubility, LogSw

-6.29

Polar Surface Area

24.012

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

1611-4250 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1611-4250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4250?
Check Price and Availability of 1611-4250, 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 1611-4250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4250
  • 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 1611-4250 available by request