4036-0248 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-propoxybenzamide

4036-0248 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-propoxybenzamide
4036-0248 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4036-0248
N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-propoxybenzamide

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

4036-0248

Molecular Formula

C20H23NO4 (C20 H23 NO4)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethyl]-4-propoxybenzamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-2-yl)ethyl]-4-propoxybenzamide

SMILES

CCCOc(cc1)ccc1C(NC(C)C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C20H23NO4/c1-3-12-23-16-10-8-15(9-11-16)20(22)21-14(2)19-13-24-17-6-4-5-7-18(17)25-19/h4-11,14,19H,3,12-13H2,1-2H3,(H,21,22)

InChI Key

RSHXZAZUYYKYKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

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

4.273

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.25

Polar Surface Area

46.670

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

4036-0248 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 4036-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4036-0248?
Check Price and Availability of 4036-0248, 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 4036-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4036-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4036-0248
  • 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 4036-0248 available by request