8009-0071 Screening compound: 4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid

8009-0071 Screening compound: 4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid
8009-0071 Screening compound: 4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0071
4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic 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

8009-0071

Molecular Formula

C20H19N3O5S (C20 H19 N3 O5 S)

Compound Name

4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid

IUPAC name

4-{2-[(2E)-2-[(4-methoxyphenyl)imino]-3-methyl-4-oxo-13-thiazolidin-5-yl]acetamido}benzoic acid

SMILES

CN(C(C(CC(Nc(cc1)ccc1C(O)=O)=O)S1)=O)/C1=N\c(cc1)ccc1OC

InChI

InChI=1S/C20H19N3O5S/c1-23-18(25)16(29-20(23)22-14-7-9-15(28-2)10-8-14)11-17(24)21-13-5-3-12(4-6-13)19(26)27/h3-10,16H,11H2,1-2H3,(H,21,24)(H,26,27)/t16-/m0/s1

InChI Key

SJDNKGVWHBXJOQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02110100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

0.332

Water Solubility, LogSw

-3.35

Polar Surface Area

84.003

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8009-0071 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Integrin Receptors Targeted library (1715 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8009-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0071?
Check Price and Availability of 8009-0071, 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 8009-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0071
  • 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 8009-0071 available by request