5512-0061 Screening compound: ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamido}benzoate

5512-0061 Screening compound: ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamido}benzoate
5512-0061 Screening compound: ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5512-0061
ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamido}benzoate

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

5512-0061

Molecular Formula

C23H23N3O5S (C23 H23 N3 O5 S)

Compound Name

ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(2E)-2-[(4-hydroxyphenyl)imino]-4-oxo-3-(prop-2-en-1-yl)-13-thiazolidin-5-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1CC=C)=O)S/C1=N/c(cc1)ccc1O)=O)=O

InChI

InChI=1S/C23H23N3O5S/c1-3-13-26-21(29)19(32-23(26)25-17-9-11-18(27)12-10-17)14-20(28)24-16-7-5-15(6-8-16)22(30)31-4-2/h3,5-12,19,27H,1,4,13-14H2,2H3,(H,24,28)/t19-/m0/s1

InChI Key

MIWDFAUMRQGEOW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03506039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.599

Water Solubility, LogSw

-3.77

Polar Surface Area

86.634

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

5512-0061 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 5512-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5512-0061?
Check Price and Availability of 5512-0061, 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 5512-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5512-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5512-0061
  • 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 5512-0061 available by request