8009-0086 Screening compound: 4-{2-[(2E)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid

8009-0086 Screening compound: 4-{2-[(2E)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid
8009-0086 Screening compound: 4-{2-[(2E)-3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-0086
4-{2-[(2E)-3-methyl-2-(methylimino)-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

8009-0086

Molecular Formula

C14H15N3O4S (C14 H15 N3 O4 S)

Compound Name

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

IUPAC name

4-{2-[(2E)-3-methyl-2-(methylimino)-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

InChI

InChI=1S/C14H15N3O4S/c1-15-14-17(2)12(19)10(22-14)7-11(18)16-9-5-3-8(4-6-9)13(20)21/h3-6,10H,7H2,1-2H3,(H,16,18)(H,20,21)/t10-/m0/s1

InChI Key

ZLKFZHYLGOZPNM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01460730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

-1.110

Water Solubility, LogSw

-2.21

Polar Surface Area

79.484

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8009-0086 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-0086?
Check Price and Availability of 8009-0086, 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 8009-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-0086
  • 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 8009-0086 available by request