3229-1272 Screening compound: 4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

3229-1272 Screening compound: 4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate
3229-1272 Screening compound: 4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1272
4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

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

3229-1272

Molecular Formula

C23H14FNO3S2 (C23 H14 FNO3 S2)

Compound Name

4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

IUPAC name

4-{[(5E)-4-oxo-3-phenyl-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 4-fluorobenzoate

SMILES

O=C(c(cc1)ccc1F)Oc1ccc(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cc1

InChI

InChI=1S/C23H14FNO3S2/c24-17-10-8-16(9-11-17)22(27)28-19-12-6-15(7-13-19)14-20-21(26)25(23(29)30-20)18-4-2-1-3-5-18/h1-14H

InChI Key

KBXQYGSVMUUUMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01100390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-5.00

Polar Surface Area

36.209

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3229-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1272?
Check Price and Availability of 3229-1272, 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 3229-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1272
  • 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 3229-1272 available by request