D388-0270 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide

D388-0270 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide
D388-0270 Screening compound: N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0270
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide

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

D388-0270

Molecular Formula

C22H27ClN2O (C22 H27 ClN2 O)

Compound Name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide

IUPAC name

N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NCC(c(cccc1)c1Cl)N1CCCCCC1)=O

InChI

InChI=1S/C22H27ClN2O/c1-17-10-4-5-11-18(17)22(26)24-16-21(19-12-6-7-13-20(19)23)25-14-8-2-3-9-15-25/h4-7,10-13,21H,2-3,8-9,14-16H2,1H3,(H,24,26)/t21-/m0/s1

InChI Key

NUZRNNKHLCXEJT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD12915340

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.92

Polar Surface Area

27.972

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D388-0270 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D388-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0270?
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What is the minimum amount of D388-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0270
  • 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 D388-0270 available by request