2743-0313 Screening compound: 2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetic acid

2743-0313 Screening compound: 2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetic acid
2743-0313 Screening compound: 2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2743-0313
2-{[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}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

2743-0313

Molecular Formula

C13H13NO5S (C13 H13 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C(CC1SCC(O)=O)=O)C1=O

InChI

InChI=1S/C13H13NO5S/c1-19-9-4-2-8(3-5-9)14-11(15)6-10(13(14)18)20-7-12(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)/t10-/m0/s1

InChI Key

ONJLEPSFGCKBKG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00420359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.084

Distribution Coefficient, logD

-3.285

Water Solubility, LogSw

-1.76

Polar Surface Area

65.357

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

2743-0313 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Soluble Diversity Library (15920 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 2743-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2743-0313?
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What is the minimum amount of 2743-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2743-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2743-0313
  • 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 2743-0313 available by request