0806-0429 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

0806-0429 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
0806-0429 Screening compound: (5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0429
(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-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

0806-0429

Molecular Formula

C15H14N2O5S2 (C15 H14 N2 O5 S2)

Compound Name

(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc1cc([N+]([O-])=O)cc(/C=C(\C(N2CC=C)=O)/SC2=S)c1O

InChI

InChI=1S/C15H14N2O5S2/c1-3-5-16-14(19)12(24-15(16)23)7-9-6-10(17(20)21)8-11(13(9)18)22-4-2/h3,6-8,18H,1,4-5H2,2H3

InChI Key

TZFHYDNGNLBWBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

1.798

Water Solubility, LogSw

-3.68

Polar Surface Area

72.763

Acid Dissociation Constant (pKa)

5.71

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0806-0429 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0806-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0429?
Check Price and Availability of 0806-0429, 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 0806-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0429
  • 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 0806-0429 available by request