4489-1001 Screening compound: 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

4489-1001 Screening compound: 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
4489-1001 Screening compound: 2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-1001
2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

4489-1001

Molecular Formula

C12H8FNO3S2 (C12 H8 FNO3 S2)

Compound Name

2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c(cccc2)c2F)=O)C1=S)=O

InChI

InChI=1S/C12H8FNO3S2/c13-8-4-2-1-3-7(8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16)

InChI Key

XBIRTKJQEPDMEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.442

Distribution Coefficient, logD

-1.677

Water Solubility, LogSw

-2.04

Polar Surface Area

45.098

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-3.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

4489-1001 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4489-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-1001?
Check Price and Availability of 4489-1001, 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 4489-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-1001
  • 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 4489-1001 available by request