Y030-3553 Screening compound: N-(4-cyanophenyl)-2-ethylhexanamide

Y030-3553 Screening compound: N-(4-cyanophenyl)-2-ethylhexanamide
Y030-3553 Screening compound: N-(4-cyanophenyl)-2-ethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3553
N-(4-cyanophenyl)-2-ethylhexanamide

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

Y030-3553

Molecular Formula

C15H20N2O (C15 H20 N2 O)

Compound Name

N-(4-cyanophenyl)-2-ethylhexanamide

IUPAC name

N-(4-cyanophenyl)-2-ethylhexanamide

SMILES

CCCCC(CC)C(Nc(cc1)ccc1C#N)=O

InChI

InChI=1S/C15H20N2O/c1-3-5-6-13(4-2)15(18)17-14-9-7-12(11-16)8-10-14/h7-10,13H,3-6H2,1-2H3,(H,17,18)/t13-/m0/s1

InChI Key

ONAHQOHAYDWYIL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02575690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.737

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-3.97

Polar Surface Area

40.657

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

Y030-3553 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y030-3553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3553?
Check Price and Availability of Y030-3553, 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 Y030-3553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3553
  • 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 Y030-3553 available by request