4168-0418 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide

4168-0418 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
4168-0418 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4168-0418
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide

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

4168-0418

Molecular Formula

C16H15NO4 (C16 H15 NO4)

Compound Name

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

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C16H15NO4/c1-19-13-5-2-11(3-6-13)16(18)17-12-4-7-14-15(10-12)21-9-8-20-14/h2-7,10H,8-9H2,1H3,(H,17,18)

InChI Key

DDWOEYMOEDHDFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00248189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.976

Distribution Coefficient, logD

1.975

Water Solubility, LogSw

-2.63

Polar Surface Area

46.697

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4168-0418 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4168-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4168-0418?
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What is the minimum amount of 4168-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4168-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4168-0418
  • 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 4168-0418 available by request