6228-2452 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

6228-2452 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide
6228-2452 Screening compound: 5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2452
5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

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

6228-2452

Molecular Formula

C19H25NO3 (C19 H25 NO3)

Compound Name

5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

IUPAC name

5-[(4-tert-butylphenoxy)methyl]-N-propylfuran-2-carboxamide

SMILES

CCCNC(c1ccc(COc2ccc(C(C)(C)C)cc2)o1)=O

InChI

InChI=1S/C19H25NO3/c1-5-12-20-18(21)17-11-10-16(23-17)13-22-15-8-6-14(7-9-15)19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21)

InChI Key

QAMJDZVGVYEHHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02371735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

4.718

Water Solubility, LogSw

-4.45

Polar Surface Area

39.834

Acid Dissociation Constant (pKa)

14.84

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

6228-2452 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6228-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2452?
Check Price and Availability of 6228-2452, 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 6228-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2452
  • 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 6228-2452 available by request