3876-1121 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide

3876-1121 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
3876-1121 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3876-1121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide

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

3876-1121

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-3-ethoxybenzamide

SMILES

CCOc1cccc(C(Nc(cc2)cc3c2OCCO3)=O)c1

InChI

InChI=1S/C17H17NO4/c1-2-20-14-5-3-4-12(10-14)17(19)18-13-6-7-15-16(11-13)22-9-8-21-15/h3-7,10-11H,2,8-9H2,1H3,(H,18,19)

InChI Key

YKNRTTIADBCIMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02633424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.98

Polar Surface Area

46.276

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3876-1121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3876-1121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3876-1121?
Check Price and Availability of 3876-1121, 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 3876-1121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3876-1121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3876-1121
  • 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 3876-1121 available by request