4358-3275 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide

4358-3275 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide
4358-3275 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3275
N-(2H-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide

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

4358-3275

Molecular Formula

C18H19NO4 (C18 H19 NO4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(3-methylphenoxy)butanamide

SMILES

Cc1cccc(OCCCC(Nc(cc2)cc3c2OCO3)=O)c1

InChI

InChI=1S/C18H19NO4/c1-13-4-2-5-15(10-13)21-9-3-6-18(20)19-14-7-8-16-17(11-14)23-12-22-16/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,19,20)

InChI Key

BLSYXXBTQASBNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.616

Distribution Coefficient, logD

3.616

Water Solubility, LogSw

-3.59

Polar Surface Area

47.649

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4358-3275 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4358-3275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3275?
Check Price and Availability of 4358-3275, 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 4358-3275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3275
  • 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 4358-3275 available by request