4032-1292 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

4032-1292 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
4032-1292 Screening compound: (5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4032-1292
(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

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

4032-1292

Molecular Formula

C20H13ClFNO3S (C20 H13 ClFNO3 S)

Compound Name

(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

IUPAC name

(5Z)-5-{[3-chloro-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-3-[(4-fluorophenyl)methyl]-13-thiazolidine-24-dione

SMILES

C#CCOc(ccc(/C=C(/C(N1Cc(cc2)ccc2F)=O)\SC1=O)c1)c1Cl

InChI

InChI=1S/C20H13ClFNO3S/c1-2-9-26-17-8-5-14(10-16(17)21)11-18-19(24)23(20(25)27-18)12-13-3-6-15(22)7-4-13/h1,3-8,10-11H,9,12H2

InChI Key

NQPSVWZUGZDXIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03031875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-5.12

Polar Surface Area

37.100

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4032-1292 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4032-1292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4032-1292?
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What is the minimum amount of 4032-1292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4032-1292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4032-1292
  • 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 4032-1292 available by request