8005-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-butoxybenzamide

8005-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-butoxybenzamide
8005-5489 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5489
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-butoxybenzamide

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

8005-5489

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-butoxybenzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C19H21NO4/c1-2-3-10-22-16-7-5-15(6-8-16)19(21)20-12-14-4-9-17-18(11-14)24-13-23-17/h4-9,11H,2-3,10,12-13H2,1H3,(H,20,21)

InChI Key

ZIVPFRGMWMFDPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00382907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.032

Water Solubility, LogSw

-4.01

Polar Surface Area

49.185

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8005-5489 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with 8005-5489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5489?
Check Price and Availability of 8005-5489, 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 8005-5489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5489
  • 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 8005-5489 available by request