5401-0033 Screening compound: N-(2-fluorophenyl)-3-oxobutanamide

5401-0033 Screening compound: N-(2-fluorophenyl)-3-oxobutanamide
5401-0033 Screening compound: N-(2-fluorophenyl)-3-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5401-0033
N-(2-fluorophenyl)-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

5401-0033

Molecular Formula

C10H10FNO2 (C10 H10 FNO2)

Compound Name

N-(2-fluorophenyl)-3-oxobutanamide

IUPAC name

N-(2-fluorophenyl)-3-oxobutanamide

SMILES

CC(CC(Nc(cccc1)c1F)=O)=O

InChI

InChI=1S/C10H10FNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)

InChI Key

SNNJOLBZQNBODQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00661533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.19

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

0.799

Distribution Coefficient, logD

0.797

Water Solubility, LogSw

-1.83

Polar Surface Area

36.025

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5401-0033 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5401-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5401-0033?
Check Price and Availability of 5401-0033, 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 5401-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5401-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5401-0033
  • 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 5401-0033 available by request