5121-1642 Screening compound: 2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

5121-1642 Screening compound: 2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid
5121-1642 Screening compound: 2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5121-1642
2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic 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

5121-1642

Molecular Formula

C21H18N2O6S2 (C21 H18 N2 O6 S2)

Compound Name

2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamido}benzoic acid

IUPAC name

2-hydroxy-4-{3-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamido}benzoic acid

SMILES

COc1c(/C=C(/C(N2CCC(Nc(cc3)cc(O)c3C(O)=O)=O)=O)\SC2=S)cccc1

InChI

InChI=1S/C21H18N2O6S2/c1-29-16-5-3-2-4-12(16)10-17-19(26)23(21(30)31-17)9-8-18(25)22-13-6-7-14(20(27)28)15(24)11-13/h2-7,10-11,24H,8-9H2,1H3,(H,22,25)(H,27,28)

InChI Key

AWQHCLIYASQDAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03705018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

0.990

Water Solubility, LogSw

-3.93

Polar Surface Area

92.157

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5121-1642 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5121-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5121-1642?
Check Price and Availability of 5121-1642, 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 5121-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5121-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5121-1642
  • 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 5121-1642 available by request