4032-1296 Screening compound: ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

4032-1296 Screening compound: ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
4032-1296 Screening compound: ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1296
ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

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

4032-1296

Molecular Formula

C21H17ClFNO5S (C21 H17 ClFNO5 S)

Compound Name

ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(2-chloro-4-{[(5Z)-3-[(4-fluorophenyl)methyl]-24-dioxo-13-thiazolidin-5-ylidene]methyl}phenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(/C(N1Cc(cc2)ccc2F)=O)\SC1=O)c1)c1Cl)=O

InChI

InChI=1S/C21H17ClFNO5S/c1-2-28-19(25)12-29-17-8-5-14(9-16(17)22)10-18-20(26)24(21(27)30-18)11-13-3-6-15(23)7-4-13/h3-10H,2,11-12H2,1H3

InChI Key

RGVLBMUMLSRAAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.69

Polar Surface Area

57.340

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4032-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1296?
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What is the minimum amount of 4032-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1296
  • 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 4032-1296 available by request