Y020-0582 Screening compound: 2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

Y020-0582 Screening compound: 2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Y020-0582 Screening compound: 2-{[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0582
2-{[1-(3-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

Y020-0582

Molecular Formula

C18H15NO4S (C18 H15 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(CC2Sc(cccc3)c3C(O)=O)=O)C2=O)c1

InChI

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

InChI Key

ORKFBYIPMPEPIJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02970489

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

2.702

Distribution Coefficient, logD

0.090

Water Solubility, LogSw

-3.08

Polar Surface Area

57.566

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y020-0582 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0582?
Check Price and Availability of Y020-0582, 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 Y020-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0582
  • 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 Y020-0582 available by request