0248-0020 Screening compound: 3-oxo-N-phenylbutanamide

0248-0020 Screening compound: 3-oxo-N-phenylbutanamide
0248-0020 Screening compound: 3-oxo-N-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0248-0020
3-oxo-N-phenylbutanamide

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

0248-0020

Molecular Formula

C10H11NO2 (C10 H11 NO2)

Compound Name

3-oxo-N-phenylbutanamide

IUPAC name

3-oxo-N-phenylbutanamide

SMILES

CC(CC(Nc1ccccc1)=O)=O

InChI

InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)

InChI Key

DYRDKSSFIWVSNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00008780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

177.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.827

Distribution Coefficient, logD

0.826

Water Solubility, LogSw

-1.71

Polar Surface Area

36.723

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0248-0020 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 0248-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0248-0020?
Check Price and Availability of 0248-0020, 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 0248-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0248-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0248-0020
  • 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 0248-0020 available by request