6746-0086 Screening compound: 2-[(3-methylphenyl)[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]acetic acid

6746-0086 Screening compound: 2-[(3-methylphenyl)[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]acetic acid
6746-0086 Screening compound: 2-[(3-methylphenyl)[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6746-0086
2-[(3-methylphenyl)[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]acetic 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

6746-0086

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

2-[(3-methylphenyl)[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino]acetic acid

IUPAC name

2-[(3-methylphenyl)[3-(3-methylphenyl)-24-dioxo-13-thiazolidin-5-yl]amino]acetic acid

SMILES

Cc1cccc(N(CC(O)=O)C(C(N2c3cc(C)ccc3)=O)SC2=O)c1

InChI

InChI=1S/C19H18N2O4S/c1-12-5-3-7-14(9-12)20(11-16(22)23)18-17(24)21(19(25)26-18)15-8-4-6-13(2)10-15/h3-10,18H,11H2,1-2H3,(H,22,23)/t18-/m0/s1

InChI Key

KZEIPYRWOLXGQH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01165859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

-1.250

Water Solubility, LogSw

-2.53

Polar Surface Area

58.903

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

6746-0086 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6746-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6746-0086?
Check Price and Availability of 6746-0086, 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 6746-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6746-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6746-0086
  • 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 6746-0086 available by request