4448-0821 Screening compound: (2E,5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one

4448-0821 Screening compound: (2E,5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-1,3-thiazolidin-4-one
4448-0821 Screening compound: (2E,5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-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 4448-0821
(2E,5Z)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-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

4448-0821

Molecular Formula

C26H27N5O2S (C26 H27 N5 O2 S)

Compound Name

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

IUPAC name

(2E5Z)-5-{[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-{[4-(morpholin-4-yl)phenyl]imino}-13-thiazolidin-4-one

SMILES

Cc1cc(/C=C(/C(N2C)=O)\S/C2=N/c(cc2)ccc2N2CCOCC2)c(C)n1-c1cnccc1

InChI

InChI=1S/C26H27N5O2S/c1-18-15-20(19(2)31(18)23-5-4-10-27-17-23)16-24-25(32)29(3)26(34-24)28-21-6-8-22(9-7-21)30-11-13-33-14-12-30/h4-10,15-17H,11-14H2,1-3H3

InChI Key

KZFVKMBXBZZKIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.26

Polar Surface Area

48.445

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

4448-0821 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4448-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4448-0821?
Check Price and Availability of 4448-0821, 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 4448-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4448-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4448-0821
  • 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 4448-0821 available by request