5556-0290 Screening compound: (2E,5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one

5556-0290 Screening compound: (2E,5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one
5556-0290 Screening compound: (2E,5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0290
(2E,5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-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

5556-0290

Molecular Formula

C9H7N3O2S (C9 H7 N3 O2 S)

Compound Name

(2E,5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(2E5E)-2-(hydroxyimino)-5-[(pyridin-3-yl)methylidene]-13-thiazolidin-4-one

SMILES

O/N=C(\NC1=O)/S/C1=C/c1cnccc1

InChI

InChI=1S/C9H7N3O2S/c13-8-7(15-9(11-8)12-14)4-6-2-1-3-10-5-6/h1-5,14H,(H,11,12,13)

InChI Key

GHVRBCSTTHRDKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03672282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.235

Distribution Coefficient, logD

0.188

Water Solubility, LogSw

-1.56

Polar Surface Area

64.407

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5556-0290 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5556-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0290?
Check Price and Availability of 5556-0290, 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 5556-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0290
  • 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 5556-0290 available by request