4340-2045 Screening compound: 2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid

4340-2045 Screening compound: 2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid
4340-2045 Screening compound: 2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2045
2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic 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

4340-2045

Molecular Formula

C21H18N2O5S3 (C21 H18 N2 O5 S3)

Compound Name

2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}ethane-1-sulfonic acid

IUPAC name

2-{5-[(3Z)-1-[(4-methylphenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}ethane-1-sulfonic acid

SMILES

Cc1ccc(CN(c(cccc2)c2/C2=C(\C(N3CCS(O)(=O)=O)=O)/SC3=S)C2=O)cc1

InChI

InChI=1S/C21H18N2O5S3/c1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)17(19(23)24)18-20(25)22(21(29)30-18)10-11-31(26,27)28/h2-9H,10-12H2,1H3,(H,26,27,28)

InChI Key

OAVYFGRRJDNNBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02995198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.778

Distribution Coefficient, logD

-7.539

Water Solubility, LogSw

-2.78

Polar Surface Area

75.220

Acid Dissociation Constant (pKa)

-1.92

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

4340-2045 in Drug Discovery

Included in Screening Libraries

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 4340-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2045?
Check Price and Availability of 4340-2045, 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 4340-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2045
  • 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 4340-2045 available by request