5885-0384 Screening compound: 2-(4-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid

5885-0384 Screening compound: 2-(4-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid
5885-0384 Screening compound: 2-(4-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5885-0384
2-(4-{[(5Z)-2,4-dioxo-3-(prop-2-yn-1-yl)-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

5885-0384

Molecular Formula

C17H15NO6S (C17 H15 NO6 S)

Compound Name

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

IUPAC name

2-(4-{[(5Z)-24-dioxo-3-(prop-2-yn-1-yl)-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenoxy)propanoic acid

SMILES

CC(C(O)=O)Oc(ccc(/C=C(/C(N1CC#C)=O)\SC1=O)c1)c1OC

InChI

InChI=1S/C17H15NO6S/c1-4-7-18-15(19)14(25-17(18)22)9-11-5-6-12(13(8-11)23-3)24-10(2)16(20)21/h1,5-6,8-10H,7H2,2-3H3,(H,20,21)/t10-/m0/s1

InChI Key

ITTMTRQYBWGPGE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD03556349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

-1.432

Water Solubility, LogSw

-2.76

Polar Surface Area

72.760

Acid Dissociation Constant (pKa)

3.40

Base Dissociation Constant (pKb)

-5.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

5885-0384 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5885-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5885-0384?
Check Price and Availability of 5885-0384, 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 5885-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5885-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5885-0384
  • 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 5885-0384 available by request