Y031-1011 Screening compound: N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}benzamide

Y031-1011 Screening compound: N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}benzamide
Y031-1011 Screening compound: N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1011
N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}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

Y031-1011

Molecular Formula

C23H22N2O3S (C23 H22 N2 O3 S)

Compound Name

N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}benzamide

IUPAC name

N-(4-methoxyphenyl)-2-{2-[(4-methylphenyl)sulfanyl]acetamido}benzamide

SMILES

Cc(cc1)ccc1SCC(Nc(cccc1)c1C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C23H22N2O3S/c1-16-7-13-19(14-8-16)29-15-22(26)25-21-6-4-3-5-20(21)23(27)24-17-9-11-18(28-2)12-10-17/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

GGHBUDNBRZCAIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.474

Distribution Coefficient, logD

4.474

Water Solubility, LogSw

-4.38

Polar Surface Area

53.053

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

Y031-1011 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y031-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1011?
Check Price and Availability of Y031-1011, 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 Y031-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1011
  • 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 Y031-1011 available by request