8006-8163 Screening compound: 4-methoxyphenyl 4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonate

8006-8163 Screening compound: 4-methoxyphenyl 4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonate
8006-8163 Screening compound: 4-methoxyphenyl 4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8163
4-methoxyphenyl 4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonate

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

8006-8163

Molecular Formula

C17H15NO6S (C17 H15 NO6 S)

Compound Name

4-methoxyphenyl 4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonate

IUPAC name

4-methoxyphenyl 4-(25-dioxopyrrolidin-1-yl)benzene-1-sulfonate

SMILES

COc(cc1)ccc1OS(c(cc1)ccc1N(C(CC1)=O)C1=O)(=O)=O

InChI

InChI=1S/C17H15NO6S/c1-23-13-4-6-14(7-5-13)24-25(21,22)15-8-2-12(3-9-15)18-16(19)10-11-17(18)20/h2-9H,10-11H2,1H3

InChI Key

JSXQZLZHAADIBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.116

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.27

Polar Surface Area

73.012

Acid Dissociation Constant (pKa)

18.69

Base Dissociation Constant (pKb)

-7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8006-8163 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8006-8163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8163?
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What is the minimum amount of 8006-8163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8163
  • 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 8006-8163 available by request