1947-0063 Screening compound: N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide

1947-0063 Screening compound: N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide
1947-0063 Screening compound: N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1947-0063
N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide

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

1947-0063

Molecular Formula

C11H16N2O5S2 (C11 H16 N2 O5 S2)

Compound Name

N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide

IUPAC name

N-(4-methanesulfonamidobenzenesulfonyl)-2-methylpropanamide

SMILES

CC(C)C(NS(c(cc1)ccc1NS(C)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C11H16N2O5S2/c1-8(2)11(14)13-20(17,18)10-6-4-9(5-7-10)12-19(3,15)16/h4-8,12H,1-3H3,(H,13,14)

InChI Key

DMYDBWXDKWHZQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.839

Distribution Coefficient, logD

-1.942

Water Solubility, LogSw

-2.22

Polar Surface Area

97.206

Acid Dissociation Constant (pKa)

4.62

Base Dissociation Constant (pKb)

-9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

1947-0063 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 1947-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1947-0063?
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What is the minimum amount of 1947-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1947-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1947-0063
  • 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 1947-0063 available by request