K205-1752 Screening compound: 3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one

K205-1752 Screening compound: 3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
K205-1752 Screening compound: 3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K205-1752
3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-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

K205-1752

Molecular Formula

C22H15ClN2O6S (C22 H15 ClN2 O6 S)

Compound Name

3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one

IUPAC name

3-[4-(4-chlorophenoxy)phenyl]-2-(6-nitro-2H-13-benzodioxol-5-yl)-13-thiazolidin-4-one

SMILES

[O-][N+](c1c(C(N2c(cc3)ccc3Oc(cc3)ccc3Cl)SCC2=O)cc2OCOc2c1)=O

InChI

InChI=1S/C22H15ClN2O6S/c23-13-1-5-15(6-2-13)31-16-7-3-14(4-8-16)24-21(26)11-32-22(24)17-9-19-20(30-12-29-19)10-18(17)25(27)28/h1-10,22H,11-12H2/t22-/m0/s1

InChI Key

OHDNCMCWKLZPMW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01933422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.89

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.233

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-5.84

Polar Surface Area

73.077

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

-9.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

K205-1752 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K205-1752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K205-1752?
Check Price and Availability of K205-1752, 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 K205-1752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K205-1752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K205-1752
  • 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 K205-1752 available by request