Y031-0827 Screening compound: 3,4-diethoxy-N-{4-[(3-ethoxypropyl)sulfamoyl]phenyl}benzamide

Y031-0827 Screening compound: 3,4-diethoxy-N-{4-[(3-ethoxypropyl)sulfamoyl]phenyl}benzamide
Y031-0827 Screening compound: 3,4-diethoxy-N-{4-[(3-ethoxypropyl)sulfamoyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0827
3,4-diethoxy-N-{4-[(3-ethoxypropyl)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

Y031-0827

Molecular Formula

C22H30N2O6S (C22 H30 N2 O6 S)

Compound Name

3,4-diethoxy-N-{4-[(3-ethoxypropyl)sulfamoyl]phenyl}benzamide

IUPAC name

34-diethoxy-N-{4-[(3-ethoxypropyl)sulfamoyl]phenyl}benzamide

SMILES

CCOCCCNS(c(cc1)ccc1NC(c(cc1)cc(OCC)c1OCC)=O)(=O)=O

InChI

InChI=1S/C22H30N2O6S/c1-4-28-15-7-14-23-31(26,27)19-11-9-18(10-12-19)24-22(25)17-8-13-20(29-5-2)21(16-17)30-6-3/h8-13,16,23H,4-7,14-15H2,1-3H3,(H,24,25)

InChI Key

NVCOUXUEGSFIFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.54

Polar Surface Area

87.599

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

Y031-0827 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y031-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0827?
Check Price and Availability of Y031-0827, 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 Y031-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0827
  • 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 Y031-0827 available by request