4476-3765 Screening compound: 4-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

4476-3765 Screening compound: 4-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4476-3765 Screening compound: 4-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3765
4-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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

4476-3765

Molecular Formula

C23H18ClN3O3S2 (C23 H18 ClN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

OC(CCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2Cl)=O)C1=S)=O

InChI

InChI=1S/C23H18ClN3O3S2/c24-17-10-8-15(9-11-17)21-16(14-27(25-21)18-5-2-1-3-6-18)13-19-22(30)26(23(31)32-19)12-4-7-20(28)29/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,28,29)

InChI Key

FSRVYXQOXYGCLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

1.390

Water Solubility, LogSw

-4.51

Polar Surface Area

59.709

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4476-3765 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4476-3765 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3765?
Check Price and Availability of 4476-3765, 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 4476-3765 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3765
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3765
  • 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 4476-3765 available by request