D388-1084 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

D388-1084 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
D388-1084 Screening compound: N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-1084
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

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

D388-1084

Molecular Formula

C23H29ClN2O2 (C23 H29 ClN2 O2)

Compound Name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

IUPAC name

N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(3-chlorophenoxy)acetamide

SMILES

Cc1ccc(C(CNC(COc2cccc(Cl)c2)=O)N2CCCCCC2)cc1

InChI

InChI=1S/C23H29ClN2O2/c1-18-9-11-19(12-10-18)22(26-13-4-2-3-5-14-26)16-25-23(27)17-28-21-8-6-7-20(24)15-21/h6-12,15,22H,2-5,13-14,16-17H2,1H3,(H,25,27)/t22-/m0/s1

InChI Key

YZJJWJQOXDBQMZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12915640

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

400.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-5.05

Polar Surface Area

35.258

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

8.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

D388-1084 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D388-1084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-1084?
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What is the minimum amount of D388-1084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-1084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-1084
  • 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 D388-1084 available by request