0096-0260 Screening compound: N-(4-ethylphenyl)-3-oxobutanamide

0096-0260 Screening compound: N-(4-ethylphenyl)-3-oxobutanamide
0096-0260 Screening compound: N-(4-ethylphenyl)-3-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0260
N-(4-ethylphenyl)-3-oxobutanamide

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

0096-0260

Molecular Formula

C12H15NO2 (C12 H15 NO2)

Compound Name

N-(4-ethylphenyl)-3-oxobutanamide

IUPAC name

N-(4-ethylphenyl)-3-oxobutanamide

SMILES

CCc(cc1)ccc1NC(CC(C)=O)=O

InChI

InChI=1S/C12H15NO2/c1-3-10-4-6-11(7-5-10)13-12(15)8-9(2)14/h4-7H,3,8H2,1-2H3,(H,13,15)

InChI Key

YSUAIVVYFQPYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

205.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.948

Water Solubility, LogSw

-2.48

Polar Surface Area

36.723

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0096-0260 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0096-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0260?
Check Price and Availability of 0096-0260, 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 0096-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0260
  • 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 0096-0260 available by request