Y031-1069 Screening compound: N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide

Y031-1069 Screening compound: N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide
Y031-1069 Screening compound: N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1069
N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide

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

Y031-1069

Molecular Formula

C16H16BrNOS (C16 H16 BrNOS)

Compound Name

N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide

IUPAC name

N-(4-bromo-2-methylphenyl)-3-(phenylsulfanyl)propanamide

SMILES

Cc(cc(cc1)Br)c1NC(CCSc1ccccc1)=O

InChI

InChI=1S/C16H16BrNOS/c1-12-11-13(17)7-8-15(12)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)

InChI Key

HROOTLKMPSVNIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.25

Polar Surface Area

22.418

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

Y031-1069 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1069?
Check Price and Availability of Y031-1069, 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 Y031-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1069
  • 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 Y031-1069 available by request