4490-1923 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

4490-1923 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
4490-1923 Screening compound: (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1923
(5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-sulfanylidene-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

4490-1923

Molecular Formula

C16H15N3OS2 (C16 H15 N3 OS2)

Compound Name

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

IUPAC name

(5E)-5-{[25-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1cc(/C=C(\C(N2C)=O)/SC2=S)c(C)n1-c1cnccc1

InChI

InChI=1S/C16H15N3OS2/c1-10-7-12(8-14-15(20)18(3)16(21)22-14)11(2)19(10)13-5-4-6-17-9-13/h4-9H,1-3H3

InChI Key

GROYWXZSOWNTBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.32

Polar Surface Area

28.662

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4490-1923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1923?
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What is the minimum amount of 4490-1923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1923
  • 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 4490-1923 available by request