K506-0021 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

K506-0021 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione
K506-0021 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K506-0021
3-(4-ethoxyphenyl)-5-[(E)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

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

K506-0021

Molecular Formula

C25H22N2O8S (C25 H22 N2 O8 S)

Compound Name

3-(4-ethoxyphenyl)-5-[(E)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

IUPAC name

(5E)-3-(4-ethoxyphenyl)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-(3-nitrophenyl)-1lambda63-thiazolidine-114-trione

SMILES

CCOc(cc1)ccc1N(C(c1cc([N+]([O-])=O)ccc1)S(/C1=C/c(cc2)cc(O)c2OC)(=O)=O)C1=O

InChI

InChI=1S/C25H22N2O8S/c1-3-35-20-10-8-18(9-11-20)26-24(29)23(14-16-7-12-22(34-2)21(28)13-16)36(32,33)25(26)17-5-4-6-19(15-17)27(30)31/h4-15,25,28H,3H2,1-2H3/t25-/m0/s1

InChI Key

LNKICYFZMXUPEP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01934300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.48

Polar Surface Area

109.221

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

K506-0021 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K506-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K506-0021?
Check Price and Availability of K506-0021, 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 K506-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K506-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K506-0021
  • 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 K506-0021 available by request