1016-0008 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

1016-0008 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
1016-0008 Screening compound: (5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1016-0008
(5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)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

1016-0008

Molecular Formula

C12H10N2O6S (C12 H10 N2 O6 S)

Compound Name

(5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-13-thiazolidine-24-dione

SMILES

CCOc(cc(/C=C(\C(N1)=O)/SC1=O)cc1[N+]([O-])=O)c1O

InChI

InChI=1S/C12H10N2O6S/c1-2-20-8-4-6(3-7(10(8)15)14(18)19)5-9-11(16)13-12(17)21-9/h3-5,15H,2H2,1H3,(H,13,16,17)

InChI Key

KHGSTORHXXLQBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00609473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.29

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.774

Distribution Coefficient, logD

0.949

Water Solubility, LogSw

-2.54

Polar Surface Area

93.678

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1016-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1016-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1016-0008?
Check Price and Availability of 1016-0008, 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 1016-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1016-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1016-0008
  • 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 1016-0008 available by request