Y031-3071 Screening compound: N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide

Y031-3071 Screening compound: N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide
Y031-3071 Screening compound: N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3071
N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide

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

Y031-3071

Molecular Formula

C23H25N3O5S2 (C23 H25 N3 O5 S2)

Compound Name

N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide

IUPAC name

N-(4-{[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)benzenesulfonamide

SMILES

COc(cccc1)c1N(CC1)CCN1S(c(cc1)ccc1NS(c1ccccc1)(=O)=O)(=O)=O

InChI

InChI=1S/C23H25N3O5S2/c1-31-23-10-6-5-9-22(23)25-15-17-26(18-16-25)33(29,30)21-13-11-19(12-14-21)24-32(27,28)20-7-3-2-4-8-20/h2-14,24H,15-18H2,1H3

InChI Key

AXYZMAHFDBDZCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-3.89

Polar Surface Area

83.189

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

Y031-3071 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-3071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3071?
Check Price and Availability of Y031-3071, 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 Y031-3071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3071
  • 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 Y031-3071 available by request