5609-0657 Screening compound: (2Z,5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one

5609-0657 Screening compound: (2Z,5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one
5609-0657 Screening compound: (2Z,5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5609-0657
(2Z,5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]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

5609-0657

Molecular Formula

C23H22N4O2S (C23 H22 N4 O2 S)

Compound Name

(2Z,5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one

IUPAC name

(2Z5E)-5-[(1H-indol-3-yl)methylidene]-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-13-thiazolidin-4-one

SMILES

CN(C(/C(/S1)=C\c2c[nH]c3c2cccc3)=O)/C1=N/c(cc1)ccc1N1CCOCC1

InChI

InChI=1S/C23H22N4O2S/c1-26-22(28)21(14-16-15-24-20-5-3-2-4-19(16)20)30-23(26)25-17-6-8-18(9-7-17)27-10-12-29-13-11-27/h2-9,14-15,24H,10-13H2,1H3

InChI Key

DACZKJYEFVVKQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04567276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-3.94

Polar Surface Area

46.133

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

5609-0657 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 5609-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5609-0657?
Check Price and Availability of 5609-0657, 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 5609-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5609-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5609-0657
  • 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 5609-0657 available by request