6860-0038 Screening compound: 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid

6860-0038 Screening compound: 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid
6860-0038 Screening compound: 4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6860-0038
4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}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

6860-0038

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

4-{[3-(3,4-dimethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]amino}benzoic acid

IUPAC name

4-{[3-(34-dimethylphenyl)-24-dioxo-13-thiazolidin-5-yl]amino}benzoic acid

SMILES

Cc(cc1)c(C)cc1N(C(C(Nc(cc1)ccc1C(O)=O)S1)=O)C1=O

InChI

InChI=1S/C18H16N2O4S/c1-10-3-8-14(9-11(10)2)20-16(21)15(25-18(20)24)19-13-6-4-12(5-7-13)17(22)23/h3-9,15,19H,1-2H3,(H,22,23)/t15-/m0/s1

InChI Key

VQWJATGQWFIUOU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05847249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

1.614

Water Solubility, LogSw

-4.05

Polar Surface Area

66.792

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

6860-0038 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 6860-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6860-0038?
Check Price and Availability of 6860-0038, 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 6860-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6860-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6860-0038
  • 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 6860-0038 available by request