5885-0493 Screening compound: 2-(4-{[(5Z)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid

5885-0493 Screening compound: 2-(4-{[(5Z)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
5885-0493 Screening compound: 2-(4-{[(5Z)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5885-0493
2-(4-{[(5Z)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic 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

5885-0493

Molecular Formula

C16H17NO6S (C16 H17 NO6 S)

Compound Name

2-(4-{[(5Z)-3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid

IUPAC name

2-(4-{[(5Z)-3-ethyl-24-dioxo-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid

SMILES

CCN(C(/C(/S1)=C/c(cc2)cc(OC)c2OC(C)C(O)=O)=O)C1=O

InChI

InChI=1S/C16H17NO6S/c1-4-17-14(18)13(24-16(17)21)8-10-5-6-11(12(7-10)22-3)23-9(2)15(19)20/h5-9H,4H2,1-3H3,(H,19,20)/t9-/m0/s1

InChI Key

MSHCZQFUCBHKIN-VIFPVBQESA-N

MDL Number (MFCD)

MFCD03554230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

-1.505

Water Solubility, LogSw

-2.60

Polar Surface Area

72.506

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

5885-0493 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5885-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5885-0493?
Check Price and Availability of 5885-0493, 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 5885-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5885-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5885-0493
  • 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 5885-0493 available by request