K629-0042 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

K629-0042 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
K629-0042 Screening compound: 2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K629-0042
2-(3-ethoxy-4-hydroxyphenyl)-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

K629-0042

Molecular Formula

C12H15NO4S (C12 H15 NO4 S)

Compound Name

2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

IUPAC name

2-(3-ethoxy-4-hydroxyphenyl)-13-thiazolidine-4-carboxylic acid

SMILES

CCOc(cc(C1SCC(C(O)=O)N1)cc1)c1O

InChI

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

InChI Key

PRFUSBXPZKOGMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01071041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.473

Distribution Coefficient, logD

-2.989

Water Solubility, LogSw

-1.99

Polar Surface Area

64.371

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

K629-0042 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Hsp90-Targeted Library (11355 compounds)

KRAS-Targeted Library (16000 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K629-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K629-0042?
Check Price and Availability of K629-0042, 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 K629-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K629-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K629-0042
  • 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 K629-0042 available by request