K629-0005 Screening compound: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

K629-0005 Screening compound: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid
K629-0005 Screening compound: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K629-0005
2-[4-(trifluoromethyl)phenyl]-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

K629-0005

Molecular Formula

C11H10F3NO2S (C11 H10 F3 NO2 S)

Compound Name

2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

IUPAC name

2-[4-(trifluoromethyl)phenyl]-13-thiazolidine-4-carboxylic acid

SMILES

OC(C1NC(c2ccc(C(F)(F)F)cc2)SC1)=O

InChI

InChI=1S/C11H10F3NO2S/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17/h1-4,8-9,15H,5H2,(H,16,17)

InChI Key

IYXKNSQXIDNVDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00103627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.664

Distribution Coefficient, logD

-1.799

Water Solubility, LogSw

-2.09

Polar Surface Area

40.613

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

K629-0005 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K629-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K629-0005?
Check Price and Availability of K629-0005, 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 K629-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K629-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K629-0005
  • 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 K629-0005 available by request