6131-0325 Screening compound: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-N-hexylamine

6131-0325 Screening compound: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-N-hexylamine
6131-0325 Screening compound: N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-N-hexylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6131-0325
N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-N-hexylamine

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

6131-0325

Molecular Formula

C16H25NO2 (C16 H25 NO2)

Compound Name

N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-N-hexylamine

IUPAC name

[(35-dihydro-1H-24-benzodioxepin-3-yl)methyl](hexyl)amine

SMILES

CCCCCCNCC(OC1)OCc2c1cccc2

InChI

InChI=1S/C16H25NO2/c1-2-3-4-7-10-17-11-16-18-12-14-8-5-6-9-15(14)13-19-16/h5-6,8-9,16-17H,2-4,7,10-13H2,1H3

InChI Key

APULWHREKIZIPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

2.150

Water Solubility, LogSw

-3.12

Polar Surface Area

30.345

Acid Dissociation Constant (pKa)

25.30

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

6131-0325 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6131-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6131-0325?
Check Price and Availability of 6131-0325, 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 6131-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6131-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6131-0325
  • 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 6131-0325 available by request