K506-0015 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(5-methyl-2-furyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione

K506-0015 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(5-methyl-2-furyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione
K506-0015 Screening compound: 3-(4-ethoxyphenyl)-5-[(E)-1-(5-methyl-2-furyl)methylidene]-2-(3-nitrophenyl)-1lambda~6~,3-thiazolane-1,1,4-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K506-0015
3-(4-ethoxyphenyl)-5-[(E)-1-(5-methyl-2-furyl)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

K506-0015

Molecular Formula

C23H20N2O7S (C23 H20 N2 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1N(C(c1cc([N+]([O-])=O)ccc1)S(/C1=C/c2ccc(C)o2)(=O)=O)C1=O

InChI

InChI=1S/C23H20N2O7S/c1-3-31-19-11-8-17(9-12-19)24-22(26)21(14-20-10-7-15(2)32-20)33(29,30)23(24)16-5-4-6-18(13-16)25(27)28/h4-14,23H,3H2,1-2H3/t23-/m0/s1

InChI Key

KHPYYFTYTXXCLL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01934294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.23

Polar Surface Area

92.305

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

-5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

K506-0015 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K506-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K506-0015?
Check Price and Availability of K506-0015, 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 K506-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K506-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K506-0015
  • 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 K506-0015 available by request