3229-1903 Screening compound: (5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3229-1903 Screening compound: (5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
3229-1903 Screening compound: (5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1903
(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)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

3229-1903

Molecular Formula

C17H8BrF3N2O4S2 (C17 H8 BrF3 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cc(/C=C(\C(N2c3cc(C(F)(F)F)ccc3)=O)/SC2=S)cc(Br)c1O)=O

InChI

InChI=1S/C17H8BrF3N2O4S2/c18-11-4-8(5-12(14(11)24)23(26)27)6-13-15(25)22(16(28)29-13)10-3-1-2-9(7-10)17(19,20)21/h1-7,24H

InChI Key

SKJFDESJEWVAAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-5.22

Polar Surface Area

64.391

Acid Dissociation Constant (pKa)

5.44

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 3229-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1903?
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What is the minimum amount of 3229-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1903
  • 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 3229-1903 available by request