8010-2839 Screening compound: N-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methylaniline

8010-2839 Screening compound: N-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methylaniline
8010-2839 Screening compound: N-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2839
N-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methylaniline

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

8010-2839

Molecular Formula

C17H19NO2 (C17 H19 NO2)

Compound Name

N-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methylaniline

IUPAC name

N-[(35-dihydro-1H-24-benzodioxepin-3-yl)methyl]-4-methylaniline

SMILES

Cc(cc1)ccc1NCC(OC1)OCc2c1cccc2

InChI

InChI=1S/C17H19NO2/c1-13-6-8-16(9-7-13)18-10-17-19-11-14-4-2-3-5-15(14)12-20-17/h2-9,17-18H,10-12H2,1H3

InChI Key

UYMZOENZYSVDIR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.34

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.80

Polar Surface Area

28.701

Acid Dissociation Constant (pKa)

20.63

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 8010-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2839?
Check Price and Availability of 8010-2839, 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 8010-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2839
  • 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 8010-2839 available by request