2109-0274 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

2109-0274 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
2109-0274 Screening compound: 3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2109-0274
3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

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

2109-0274

Molecular Formula

C19H14FN3O5S2 (C19 H14 FN3 O5 S2)

Compound Name

3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

IUPAC name

3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

SMILES

[O-][N+](c(cc1)cc(NC(CCN(C(/C(/S2)=C/c(cc3)ccc3F)=O)C2=S)=O)c1O)=O

InChI

InChI=1S/C19H14FN3O5S2/c20-12-3-1-11(2-4-12)9-16-18(26)22(19(29)30-16)8-7-17(25)21-14-10-13(23(27)28)5-6-15(14)24/h1-6,9-10,24H,7-8H2,(H,21,25)

InChI Key

OMSAUNOCRSMHCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.32

Polar Surface Area

88.802

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

2109-0274 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2109-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0274?
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What is the minimum amount of 2109-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0274
  • 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 2109-0274 available by request