Y031-6822 Screening compound: N-(3-acetamidophenyl)-2-methylpentanamide

Y031-6822 Screening compound: N-(3-acetamidophenyl)-2-methylpentanamide
Y031-6822 Screening compound: N-(3-acetamidophenyl)-2-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6822
N-(3-acetamidophenyl)-2-methylpentanamide

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

Y031-6822

Molecular Formula

C14H20N2O2 (C14 H20 N2 O2)

Compound Name

N-(3-acetamidophenyl)-2-methylpentanamide

IUPAC name

N-(3-acetamidophenyl)-2-methylpentanamide

SMILES

CCCC(C)C(Nc1cc(NC(C)=O)ccc1)=O

InChI

InChI=1S/C14H20N2O2/c1-4-6-10(2)14(18)16-13-8-5-7-12(9-13)15-11(3)17/h5,7-10H,4,6H2,1-3H3,(H,15,17)(H,16,18)/t10-/m0/s1

InChI Key

OSVFLOPAUDCCRX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02861500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-2.84

Polar Surface Area

46.863

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

Y031-6822 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y031-6822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6822?
Check Price and Availability of Y031-6822, 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 Y031-6822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6822
  • 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 Y031-6822 available by request