4759-8188 Screening compound: 2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

4759-8188 Screening compound: 2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
4759-8188 Screening compound: 2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4759-8188
2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-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

4759-8188

Molecular Formula

C20H19N3O6S (C20 H19 N3 O6 S)

Compound Name

2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-24-dioxo-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C20H19N3O6S/c24-17(21-5-7-29-8-6-21)11-22-10-13(14-3-1-2-4-15(14)22)9-16-19(27)23(12-18(25)26)20(28)30-16/h1-4,9-10H,5-8,11-12H2,(H,25,26)

InChI Key

JBMMYZJFAYTSEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.193

Distribution Coefficient, logD

-3.532

Water Solubility, LogSw

-1.74

Polar Surface Area

84.284

Acid Dissociation Constant (pKa)

3.68

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4759-8188 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4759-8188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4759-8188?
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What is the minimum amount of 4759-8188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4759-8188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4759-8188
  • 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 4759-8188 available by request