K085-0007 Screening compound: 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

K085-0007 Screening compound: 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
K085-0007 Screening compound: 2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K085-0007
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic 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

K085-0007

Molecular Formula

C12H15NO4S (C12 H15 NO4 S)

Compound Name

2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

IUPAC name

2-(34-dimethoxyphenyl)-13-thiazolidine-4-carboxylic acid

SMILES

COc(ccc(C1SCC(C(O)=O)N1)c1)c1OC

InChI

InChI=1S/C12H15NO4S/c1-16-9-4-3-7(5-10(9)17-2)11-13-8(6-18-11)12(14)15/h3-5,8,11,13H,6H2,1-2H3,(H,14,15)

InChI Key

VVYKDOVBUSRSCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.371

Distribution Coefficient, logD

-3.091

Water Solubility, LogSw

-1.91

Polar Surface Area

55.873

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

K085-0007 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K085-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K085-0007?
Check Price and Availability of K085-0007, 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 K085-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K085-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K085-0007
  • 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 K085-0007 available by request