Y030-8761 Screening compound: N,N-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide

Y030-8761 Screening compound: N,N-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide
Y030-8761 Screening compound: N,N-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8761
N,N-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide

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

Y030-8761

Molecular Formula

C17H22N2O4S2 (C17 H22 N2 O4 S2)

Compound Name

N,N-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide

IUPAC name

NN-diethyl-4-(phenylmethanesulfonamido)benzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1NS(Cc1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C17H22N2O4S2/c1-3-19(4-2)25(22,23)17-12-10-16(11-13-17)18-24(20,21)14-15-8-6-5-7-9-15/h5-13,18H,3-4,14H2,1-2H3

InChI Key

SSTRNBCGQZSLER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

1.622

Water Solubility, LogSw

-3.28

Polar Surface Area

73.612

Acid Dissociation Constant (pKa)

6.26

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

Y030-8761 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 Y030-8761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8761?
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What is the minimum amount of Y030-8761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8761
  • 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 Y030-8761 available by request