D345-0687 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide

D345-0687 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide
D345-0687 Screening compound: N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0687
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-4-bromobenzamide

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

D345-0687

Molecular Formula

C22H27BrN2O2 (C22 H27 BrN2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(CNC(c(cc2)ccc2Br)=O)N2CCCCCC2)cc1

InChI

InChI=1S/C22H27BrN2O2/c1-27-20-12-8-17(9-13-20)21(25-14-4-2-3-5-15-25)16-24-22(26)18-6-10-19(23)11-7-18/h6-13,21H,2-5,14-16H2,1H3,(H,24,26)/t21-/m0/s1

InChI Key

OUBGVPUXEYDWDI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08546820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.712

Distribution Coefficient, logD

4.582

Water Solubility, LogSw

-4.22

Polar Surface Area

35.516

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with D345-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0687?
Check Price and Availability of D345-0687, 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 D345-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0687
  • 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 D345-0687 available by request