6322-0345 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid

6322-0345 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid
6322-0345 Screening compound: 2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6322-0345
2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]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

6322-0345

Molecular Formula

C20H22BrNO4S (C20 H22 BrNO4 S)

Compound Name

2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-1,3-thiazolidine-4-carboxylic acid

IUPAC name

2-{3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}-13-thiazolidine-4-carboxylic acid

SMILES

CCOc1cc(C2SCC(C(O)=O)N2)cc(Br)c1OCc1c(C)cccc1

InChI

InChI=1S/C20H22BrNO4S/c1-3-25-17-9-14(19-22-16(11-27-19)20(23)24)8-15(21)18(17)26-10-13-7-5-4-6-12(13)2/h4-9,16,19,22H,3,10-11H2,1-2H3,(H,23,24)

InChI Key

MKHFUVFCQDZCDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07606904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

0.182

Water Solubility, LogSw

-3.73

Polar Surface Area

55.224

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

6322-0345 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6322-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6322-0345?
Check Price and Availability of 6322-0345, 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 6322-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6322-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6322-0345
  • 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 6322-0345 available by request