4287-1811 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione

4287-1811 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione
4287-1811 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4287-1811
(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione

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

4287-1811

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

(5E)-5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-{[25-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-13-thiazolidine-24-dione

SMILES

Cc1cc(/C=C(\C(N2)=O)/SC2=O)c(C)n1-c1ccncc1

InChI

InChI=1S/C15H13N3O2S/c1-9-7-11(8-13-14(19)17-15(20)21-13)10(2)18(9)12-3-5-16-6-4-12/h3-8H,1-2H3,(H,17,19,20)

InChI Key

PAOWMUJXGOUFQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03080733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

-0.135

Water Solubility, LogSw

-2.04

Polar Surface Area

50.001

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4287-1811 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4287-1811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4287-1811?
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What is the minimum amount of 4287-1811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4287-1811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4287-1811
  • 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 4287-1811 available by request