4358-3147 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenoxy)butanamide

4358-3147 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenoxy)butanamide
4358-3147 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-3147
N-(2H-1,3-benzodioxol-5-yl)-4-(4-chlorophenoxy)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

4358-3147

Molecular Formula

C17H16ClNO4 (C17 H16 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCOc(cc1)ccc1Cl)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C17H16ClNO4/c18-12-3-6-14(7-4-12)21-9-1-2-17(20)19-13-5-8-15-16(10-13)23-11-22-15/h3-8,10H,1-2,9,11H2,(H,19,20)

InChI Key

IJNOLBZPAJJWMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02367739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.77

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

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.16

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

23.50

4358-3147 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4358-3147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-3147?
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What is the minimum amount of 4358-3147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-3147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-3147
  • 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 4358-3147 available by request