4340-0630 Screening compound: 3-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid

4340-0630 Screening compound: 3-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
4340-0630 Screening compound: 3-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-0630
3-{5-[(3Z)-1-{[(4-methoxyphenyl)carbamoyl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic 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

4340-0630

Molecular Formula

C23H19N3O6S2 (C23 H19 N3 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CN(c(cccc1)c1/C1=C(\C(N2CCC(O)=O)=O)/SC2=S)C1=O)=O

InChI

InChI=1S/C23H19N3O6S2/c1-32-14-8-6-13(7-9-14)24-17(27)12-26-16-5-3-2-4-15(16)19(21(26)30)20-22(31)25(23(33)34-20)11-10-18(28)29/h2-9H,10-12H2,1H3,(H,24,27)(H,28,29)

InChI Key

GLOYXUFQPRVFGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.923

Distribution Coefficient, logD

-0.609

Water Solubility, LogSw

-2.90

Polar Surface Area

91.238

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4340-0630 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4340-0630 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-0630?
Check Price and Availability of 4340-0630, 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 4340-0630 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-0630
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-0630
  • 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 4340-0630 available by request