4491-1952 Screening compound: methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

4491-1952 Screening compound: methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
4491-1952 Screening compound: methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1952
methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

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

4491-1952

Molecular Formula

C15H14FNO3S2 (C15 H14 FNO3 S2)

Compound Name

methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

IUPAC name

methyl 4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanoate

SMILES

COC(CCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O

InChI

InChI=1S/C15H14FNO3S2/c1-20-13(18)3-2-8-17-14(19)12(22-15(17)21)9-10-4-6-11(16)7-5-10/h4-7,9H,2-3,8H2,1H3

InChI Key

CQZLGXMKFQMAPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.87

Polar Surface Area

37.271

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 4491-1952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1952?
Check Price and Availability of 4491-1952, 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 4491-1952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1952
  • 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 4491-1952 available by request