Y031-0488 Screening compound: 3,4-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide

Y031-0488 Screening compound: 3,4-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide
Y031-0488 Screening compound: 3,4-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0488
3,4-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide

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

Y031-0488

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

3,4-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide

IUPAC name

34-diethoxy-N-(4-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)benzamide

SMILES

CCOc(ccc(C(Nc(cc1)ccc1S(NCC1OCCC1)(=O)=O)=O)c1)c1OCC

InChI

InChI=1S/C22H28N2O6S/c1-3-28-20-12-7-16(14-21(20)29-4-2)22(25)24-17-8-10-19(11-9-17)31(26,27)23-15-18-6-5-13-30-18/h7-12,14,18,23H,3-6,13,15H2,1-2H3,(H,24,25)/t18-/m1/s1

InChI Key

QRZLLUZZHPQDIY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05882683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.94

Polar Surface Area

88.163

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y031-0488 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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 Y031-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0488?
Check Price and Availability of Y031-0488, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0488
  • 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 Y031-0488 available by request