K205-0041 Screening compound: 3-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid

K205-0041 Screening compound: 3-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
K205-0041 Screening compound: 3-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K205-0041
3-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid

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

K205-0041

Molecular Formula

C16H11ClFNO3S (C16 H11 ClFNO3 S)

Compound Name

3-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzoic acid

IUPAC name

3-[2-(2-chloro-6-fluorophenyl)-4-oxo-13-thiazolidin-3-yl]benzoic acid

SMILES

OC(c1cccc(N(C(c(c(F)ccc2)c2Cl)SC2)C2=O)c1)=O

InChI

InChI=1S/C16H11ClFNO3S/c17-11-5-2-6-12(18)14(11)15-19(13(20)8-23-15)10-4-1-3-9(7-10)16(21)22/h1-7,15H,8H2,(H,21,22)/t15-/m0/s1

InChI Key

LVIYTRZQAQCMRJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01933353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.556

Distribution Coefficient, logD

0.871

Water Solubility, LogSw

-3.79

Polar Surface Area

44.541

Acid Dissociation Constant (pKa)

4.72

Base Dissociation Constant (pKb)

-13.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

K205-0041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K205-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K205-0041?
Check Price and Availability of K205-0041, 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 K205-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K205-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K205-0041
  • 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 K205-0041 available by request