Y020-0581 Screening compound: 2-{[1-(4-chloro-3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid

Y020-0581 Screening compound: 2-{[1-(4-chloro-3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid
Y020-0581 Screening compound: 2-{[1-(4-chloro-3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0581
2-{[1-(4-chloro-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

Y020-0581

Molecular Formula

C18H14ClNO4S (C18 H14 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)N(C(CC2Sc(cccc3)c3C(O)=O)=O)C2=O)c1Cl

InChI

InChI=1S/C18H14ClNO4S/c1-10-8-11(6-7-13(10)19)20-16(21)9-15(17(20)22)25-14-5-3-2-4-12(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)/t15-/m1/s1

InChI Key

URDFTTNCKSJXNR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03941466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.83

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

3.579

Distribution Coefficient, logD

0.967

Water Solubility, LogSw

-3.81

Polar Surface Area

57.566

Acid Dissociation Constant (pKa)

4.79

Base Dissociation Constant (pKb)

-6.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y020-0581 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0581?
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What is the minimum amount of Y020-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0581
  • 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 Y020-0581 available by request