D345-0753 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide

D345-0753 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide
D345-0753 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0753
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide

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

D345-0753

Molecular Formula

C25H34N2O3 (C25 H34 N2 O3)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-propoxybenzamide

SMILES

CCCOc(cccc1)c1C(NCC(c(cc1)ccc1OC)N1CCCCCC1)=O

InChI

InChI=1S/C25H34N2O3/c1-3-18-30-24-11-7-6-10-22(24)25(28)26-19-23(27-16-8-4-5-9-17-27)20-12-14-21(29-2)15-13-20/h6-7,10-15,23H,3-5,8-9,16-19H2,1-2H3,(H,26,28)/t23-/m0/s1

InChI Key

DPAJZFOUGYEPLZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD12918638

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.131

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.91

Polar Surface Area

43.020

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

D345-0753 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D345-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0753?
Check Price and Availability of D345-0753, 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 D345-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0753
  • 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 D345-0753 available by request