0131-0092 Screening compound: N-(4-methylphenyl)-3-oxobutanamide

0131-0092 Screening compound: N-(4-methylphenyl)-3-oxobutanamide
0131-0092 Screening compound: N-(4-methylphenyl)-3-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0131-0092
N-(4-methylphenyl)-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

0131-0092

Molecular Formula

C11H13NO2 (C11 H13 NO2)

Compound Name

N-(4-methylphenyl)-3-oxobutanamide

IUPAC name

N-(4-methylphenyl)-3-oxobutanamide

SMILES

CC(CC(Nc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)

InChI Key

MJGLMEMIYDUEHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00043931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

191.23

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

1.442

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-1.77

Polar Surface Area

36.723

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0131-0092 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0131-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0131-0092?
Check Price and Availability of 0131-0092, 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 0131-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0131-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0131-0092
  • 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 0131-0092 available by request