D345-0703 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide

D345-0703 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
D345-0703 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0703
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide

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

D345-0703

Molecular Formula

C22H27N3O4 (C22 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(CNC(c(cccc2)c2[N+]([O-])=O)=O)N2CCCCCC2)cc1

InChI

InChI=1S/C22H27N3O4/c1-29-18-12-10-17(11-13-18)21(24-14-6-2-3-7-15-24)16-23-22(26)19-8-4-5-9-20(19)25(27)28/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,23,26)/t21-/m0/s1

InChI Key

WQYOWKTVDIMTDY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD12918631

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.00

Polar Surface Area

68.596

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D345-0703 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0703?
Check Price and Availability of D345-0703, 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 D345-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0703
  • 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 D345-0703 available by request