4137-1366 Screening compound: 4-(benzyloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

4137-1366 Screening compound: 4-(benzyloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
4137-1366 Screening compound: 4-(benzyloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-1366
4-(benzyloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

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

4137-1366

Molecular Formula

C22H19NO4 (C22 H19 NO4)

Compound Name

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

IUPAC name

4-(benzyloxy)-N-(23-dihydro-14-benzodioxin-6-yl)benzamide

SMILES

O=C(c(cc1)ccc1OCc1ccccc1)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C22H19NO4/c24-22(23-18-8-11-20-21(14-18)26-13-12-25-20)17-6-9-19(10-7-17)27-15-16-4-2-1-3-5-16/h1-11,14H,12-13,15H2,(H,23,24)

InChI Key

FJYPBHCQXZHPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.70

Polar Surface Area

46.380

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4137-1366 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4137-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-1366?
Check Price and Availability of 4137-1366, 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 4137-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-1366
  • 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 4137-1366 available by request