1889-3018 Screening compound: (2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)imino]-1,3-thiazolidin-4-one

1889-3018 Screening compound: (2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)imino]-1,3-thiazolidin-4-one
1889-3018 Screening compound: (2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-3018
(2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)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

1889-3018

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

(2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2E)-5-[(4-methylphenyl)methyl]-2-[(pyridin-2-yl)imino]-13-thiazolidin-4-one

SMILES

Cc1ccc(CC(C(N2)=O)S/C2=N/c2ncccc2)cc1

InChI

InChI=1S/C16H15N3OS/c1-11-5-7-12(8-6-11)10-13-15(20)19-16(21-13)18-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)/t13-/m0/s1

InChI Key

VTSLUUJUPZFKPH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01124156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.64

Polar Surface Area

42.768

Acid Dissociation Constant (pKa)

7.28

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

1889-3018 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

CNS targets activity set (6557 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1889-3018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-3018?
Check Price and Availability of 1889-3018, 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 1889-3018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-3018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-3018
  • 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 1889-3018 available by request