5885-0224 Screening compound: (2Z,5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

5885-0224 Screening compound: (2Z,5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one
5885-0224 Screening compound: (2Z,5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5885-0224
(2Z,5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

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

5885-0224

Molecular Formula

C31H26N4O3S (C31 H26 N4 O3 S)

Compound Name

(2Z,5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2Z5Z)-5-{[1-(4-hydroxyphenyl)-1H-pyrrol-2-yl]methylidene}-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1/N=C(/N(CCc1c[nH]c2c1cccc2)C1=O)\S/C1=C\c1cccn1-c(cc1)ccc1O

InChI

InChI=1S/C31H26N4O3S/c1-38-26-14-8-22(9-15-26)33-31-35(18-16-21-20-32-28-7-3-2-6-27(21)28)30(37)29(39-31)19-24-5-4-17-34(24)23-10-12-25(36)13-11-23/h2-15,17,19-20,32,36H,16,18H2,1H3

InChI Key

LJASDFSMZMQEMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.930

Distribution Coefficient, logD

5.929

Water Solubility, LogSw

-5.49

Polar Surface Area

62.404

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

5885-0224 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 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 5885-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5885-0224?
Check Price and Availability of 5885-0224, 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 5885-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5885-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5885-0224
  • 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 5885-0224 available by request