3229-1885 Screening compound: (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3229-1885 Screening compound: (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
3229-1885 Screening compound: (5E)-5-[(3-bromo-4-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1885
(5E)-5-[(3-bromo-4-fluorophenyl)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

3229-1885

Molecular Formula

C17H8BrF4NOS2 (C17 H8 BrF4 NOS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/SC1=S)=C\c(cc2)cc(Br)c2F)N1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C17H8BrF4NOS2/c18-12-6-9(4-5-13(12)19)7-14-15(24)23(16(25)26-14)11-3-1-2-10(8-11)17(20,21)22/h1-8H

InChI Key

WPPJQULDWRJLAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.29

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

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-5.96

Polar Surface Area

15.831

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3229-1885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1885?
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What is the minimum amount of 3229-1885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1885
  • 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 3229-1885 available by request