2189-1308 Screening compound: 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

2189-1308 Screening compound: 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
2189-1308 Screening compound: 2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1308
2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}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

2189-1308

Molecular Formula

C18H15NO4S (C18 H15 NO4 S)

Compound Name

2-{[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

IUPAC name

2-{[1-(4-methylphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

SMILES

Cc(cc1)ccc1N(C(CC1Sc(cccc2)c2C(O)=O)=O)C1=O

InChI

InChI=1S/C18H15NO4S/c1-11-6-8-12(9-7-11)19-16(20)10-15(17(19)21)24-14-5-3-2-4-13(14)18(22)23/h2-9,15H,10H2,1H3,(H,22,23)/t15-/m0/s1

InChI Key

CPZZDLSITZBBJF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00175642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.627

Distribution Coefficient, logD

0.015

Water Solubility, LogSw

-3.00

Polar Surface Area

57.566

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-5.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

2189-1308 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2189-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1308?
Check Price and Availability of 2189-1308, 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 2189-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1308
  • 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 2189-1308 available by request