4340-1349 Screening compound: 2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

4340-1349 Screening compound: 2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
4340-1349 Screening compound: 2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1349
2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-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

4340-1349

Molecular Formula

C24H21N3O4S2 (C24 H21 N3 O4 S2)

Compound Name

2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-4-oxo-5-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

CCCOc(cc1)ccc1-c(c(/C=C(/C(N1CC(O)=O)=O)\SC1=S)c1)nn1-c1ccccc1

InChI

InChI=1S/C24H21N3O4S2/c1-2-12-31-19-10-8-16(9-11-19)22-17(14-27(25-22)18-6-4-3-5-7-18)13-20-23(30)26(15-21(28)29)24(32)33-20/h3-11,13-14H,2,12,15H2,1H3,(H,28,29)

InChI Key

XEXNVVSSFLCAGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02988080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

0.683

Water Solubility, LogSw

-3.86

Polar Surface Area

67.148

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 4340-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1349?
Check Price and Availability of 4340-1349, 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 4340-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1349
  • 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 4340-1349 available by request